4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-N-(3-ethanoylphenyl)-2-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-N-(3-ethanoylphenyl)-2-phenyl-piperazine-1-carboxamide Openeye Name: N-(3-acetylphenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-piperazine-1-carboxamide CAS Name: N-(3-acetylphenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-1-piperazinecarboxamide IUPAC Name: N-(3-acetylphenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenylpiperazine-1-carboxamide Traditional Name: N-(3-acetylphenyl)-4-[(cyanoamino)-(o-toluidino)methyl]-2-phenyl-piperazine-1-carboxamide Formula: C28H30N6O2 MolecularWeight: 482.5768

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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=CC=CC(=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O2/c1-20-9-6-7-14-25(20)32-27(30-19-29)33-15-16-34(26(18-33)22-10-4-3-5-11-22)28(36)31-24-13-8-12-23(17-24)21(2)35/h3-14,17,26-27,30,32H,15-16,18H2,1-2H3,(H,31,36)