4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-piperazine-1-carboxamide Openeye Name: 4-[(cyanoamino)-(2-methylanilino)methyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-piperazine-1-carboxamide CAS Name: 4-[(cyanoamino)-(2-methylanilino)methyl]-N-(2-methoxy-5-methylphenyl)-2-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[(cyanoamino)-(2-methylanilino)methyl]-N-(2-methoxy-5-methylphenyl)-2-phenylpiperazine-1-carboxamide Traditional Name: 4-[(cyanoamino)-(o-toluidino)methyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-piperazine-1-carboxamide Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)N2CCN(CC2C3=CC=CC=C3)C(NC#N)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)N2CCN(CC2C3=CC=CC=C3)C(NC#N)NC4=CC=CC=C4C

InChI

InChI=1S/C28H32N6O2/c1-20-13-14-26(36-3)24(17-20)32-28(35)34-16-15-33(18-25(34)22-10-5-4-6-11-22)27(30-19-29)31-23-12-8-7-9-21(23)2/h4-14,17,25,27,30-31H,15-16,18H2,1-3H3,(H,32,35)