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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)OC)C

InChI

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