N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-phenyl-piperazine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-phenyl-piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(o-tolyl)carbamimidoyl]-2-phenyl-piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(2-methylphenyl)iminomethyl]-2-phenyl-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-phenylpiperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(o-tolyl)amidino]-2-phenyl-piperazine-1-carboxamide Formula: C26H25ClN6O MolecularWeight: 472.9693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN6O/c1-19-7-5-6-10-23(19)31-25(29-18-28)32-15-16-33(24(17-32)20-8-3-2-4-9-20)26(34)30-22-13-11-21(27)12-14-22/h2-14,24H,15-17H2,1H3,(H,29,31)(H,30,34)