N-cyano-4-(3,4-dimethoxyphenyl)carbonyl-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide

Systemtic Name: N-cyano-4-(3,4-dimethoxyphenyl)carbonyl-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide Openeye Name: N-cyano-4-(3,4-dimethoxybenzoyl)-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: N-cyano-4-[(3,4-dimethoxyphenyl)-oxomethyl]-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-4-(3,4-dimethoxybenzoyl)-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide Traditional Name: N-cyano-N'-(o-tolyl)-3-phenyl-4-veratroyl-piperazine-1-carboxamidine Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29N5O3/c1-20-9-7-8-12-23(20)31-28(30-19-29)32-15-16-33(24(18-32)21-10-5-4-6-11-21)27(34)22-13-14-25(35-2)26(17-22)36-3/h4-14,17,24H,15-16,18H2,1-3H3,(H,30,31)