N-(4-Chlorophenyl)-N′-cyano-N′′-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]guanidine

CAS Registry Number®

144301-94-0

CAS Name

N-(4-Chlorophenyl)-N′-cyano-N′′-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]guanidine

Molecular Formula

C20H18ClN5O2

Molecular Mass

395.84

Cite this Page

N-(4-Chlorophenyl)-N′-cyano-N′′-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]guanidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144301-94-0 (retrieved 2024-11-22) (CAS RN: 144301-94-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-9-12(10-22)3-8-16(15)28-20)26-19(24-11-23)25-14-6-4-13(21)5-7-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m1/s1

InChIKey

InChIKey=VLICJSLDCJXZBG-MSOLQXFVSA-N

SMILES

N(=C(NC1=CC=C(Cl)C=C1)NC#N)[C@@H]2C=3C(OC(C)(C)[C@H]2O)=CC=C(C#N)C3

Canonical SMILES

N#CNC(=NC1C2=CC(C#N)=CC=C2OC(C)(C)C1O)NC3=CC=C(Cl)C=C3

Other Names for this Substance

  • Guanidine, N-(4-chlorophenyl)-N′-cyano-N′′-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-
  • Guanidine, N-(4-chlorophenyl)-N′-cyano-N′′-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-, (3S-trans)-
  • N-(4-Chlorophenyl)-N′-cyano-N′′-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]guanidine
  • BMS 180448

CAS INSIGHTSTM
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