3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione

CAS Registry Number®

1223105-89-2
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CAS Name

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione

Molecular Formula

C28H23F6N3O2

Molecular Mass

547.49

Cite this Page

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1223105-89-2 (retrieved 2024-07-02) (CAS RN: 1223105-89-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H23F6N3O2/c1-37(2)24(17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)36-23-22(25(38)26(23)39)35-20-14-18(27(29,30)31)13-19(15-20)28(32,33)34/h3-15,21,24,35-36H,1-2H3/t21-,24-/m1/s1

InChIKey

InChIKey=SQPFGTYBBLELED-ZJSXRUAMSA-N

SMILES

[C@@H]([C@H](N(C)C)C1=CC=CC=C1)(NC2=C(NC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C(=O)C2=O)C4=CC=CC=C4

Canonical SMILES

O=C1C(=O)C(NC(C=2C=CC=CC2)C(C=3C=CC=CC3)N(C)C)=C1NC=4C=C(C=C(C4)C(F)(F)F)C(F)(F)F

Other Names for this Substance

  • 3-Cyclobutene-1,2-dione, 3-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-
  • 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione