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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-2-phenyl-piperazine-1-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-piperazine-1-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenylpiperazine-1-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[(cyanoamino)-(o-toluidino)methyl]-2-phenyl-piperazine-1-carboxamide Formula: C27H29ClN6O MolecularWeight: 489.01176

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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(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN6O/c1-19-9-6-7-13-23(19)31-26(30-18-29)33-15-16-34(25(17-33)21-10-4-3-5-11-21)27(35)32-24-14-8-12-22(28)20(24)2/h3-14,25-26,30-31H,15-17H2,1-2H3,(H,32,35)