3-cyano-1-(3,4-dimethylphenyl)-N-(diphenylmethyl)pyrrole-2-carboxamide

Systemtic Name: 3-cyano-1-(3,4-dimethylphenyl)-N-(diphenylmethyl)pyrrole-2-carboxamide Openeye Name: N-benzhydryl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide CAS Name: 3-cyano-1-(3,4-dimethylphenyl)-N-(diphenylmethyl)-2-pyrrolecarboxamide IUPAC Name: N-benzhydryl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide Traditional Name: N-benzhydryl-3-cyano-1-(3,4-dimethylphenyl)pyrrole-2-carboxamide Formula: C27H23N3O MolecularWeight: 405.49102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CC(=C2C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CC(=C2C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C27H23N3O/c1-19-13-14-24(17-20(19)2)30-16-15-23(18-28)26(30)27(31)29-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,25H,1-2H3,(H,29,31)