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

Systemtic Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-propan-2-yl-piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(o-tolyl)carbamimidoyl]-2-isopropyl-piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(2-methylphenyl)iminomethyl]-2-propan-2-yl-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(2-methylphenyl)carbamimidoyl]-2-propan-2-ylpiperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(o-tolyl)amidino]-2-isopropyl-piperazine-1-carboxamide Formula: C23H27ClN6O MolecularWeight: 438.95308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C(C)C)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C(C)C)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN6O/c1-16(2)21-14-29(22(26-15-25)28-20-7-5-4-6-17(20)3)12-13-30(21)23(31)27-19-10-8-18(24)9-11-19/h4-11,16,21H,12-14H2,1-3H3,(H,26,28)(H,27,31)