N-(2-chloranyl-5-methyl-phenyl)-4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-2-phenyl-piperazine-1-carboxamide

Systemtic Name: N-(2-chloranyl-5-methyl-phenyl)-4-[(cyanoamino)-[(2-methylphenyl)amino]methyl]-2-phenyl-piperazine-1-carboxamide Openeye Name: N-(2-chloro-5-methyl-phenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-piperazine-1-carboxamide CAS Name: N-(2-chloro-5-methylphenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenyl-1-piperazinecarboxamide IUPAC Name: N-(2-chloro-5-methylphenyl)-4-[(cyanoamino)-(2-methylanilino)methyl]-2-phenylpiperazine-1-carboxamide Traditional Name: N-(2-chloro-5-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(=C(C=C1)Cl)NC(=O)N2CCN(CC2C3=CC=CC=C3)C(NC#N)NC4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=O)N2CCN(CC2C3=CC=CC=C3)C(NC#N)NC4=CC=CC=C4C

InChI

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