5-[4′-[3-[[[3′,6′-Bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl]carbonyl]amino]propyl][1,1′-biphenyl]-4-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide

CAS Registry Number®

1186195-59-4
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CAS Name

5-[4′-[3-[[[3′,6′-Bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl]carbonyl]amino]propyl][1,1′-biphenyl]-4-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide

Molecular Formula

C56H53Cl2N7O5

Molecular Mass

974.97

Cite this Page

5-[4′-[3-[[[3′,6′-Bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl]carbonyl]amino]propyl][1,1′-biphenyl]-4-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1186195-59-4 (retrieved 2024-06-26) (CAS RN: 1186195-59-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H53Cl2N7O5/c1-34-51(54(67)61-64-28-7-6-8-29-64)60-65(48-26-20-40(57)31-47(48)58)52(34)38-17-15-37(16-18-38)36-13-11-35(12-14-36)10-9-27-59-53(66)39-19-23-44-43(30-39)55(68)70-56(44)45-24-21-41(62(2)3)32-49(45)69-50-33-42(63(4)5)22-25-46(50)56/h11-26,30-33H,6-10,27-29H2,1-5H3,(H,59,66)(H,61,67)

InChIKey

InChIKey=RNAPRXIZPJDYPH-UHFFFAOYSA-N

SMILES

O=C1OC2(C=3C1=CC(C(NCCCC4=CC=C(C=C4)C5=CC=C(C=C5)C=6N(N=C(C(NN7CCCCC7)=O)C6C)C8=C(Cl)C=C(Cl)C=C8)=O)=CC3)C=9C(OC=%10C2=CC=C(N(C)C)C%10)=CC(N(C)C)=CC9

Canonical SMILES

O=C1OC2(C3=CC=C(C=C3OC4=CC(=CC=C42)N(C)C)N(C)C)C5=CC=C(C=C15)C(=O)NCCCC=6C=CC(=CC6)C=7C=CC(=CC7)C8=C(C(=NN8C9=CC=C(Cl)C=C9Cl)C(=O)NN%10CCCCC%10)C

Other Names for this Substance

  • 1H-Pyrazole-3-carboxamide, 5-[4′-[3-[[[3′,6′-bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl]carbonyl]amino]propyl][1,1′-biphenyl]-4-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-
  • 5-[4′-[3-[[[3′,6′-Bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl]carbonyl]amino]propyl][1,1′-biphenyl]-4-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide
  • Tocrifluor T 1117
  • Tocrifluor 1117
  • T 1117

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