4-[2-(4-chlorophenyl)ethanoyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide

Systemtic Name: 4-[2-(4-chlorophenyl)ethanoyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-piperazine-1-carboximidamide Openeye Name: 4-[2-(4-chlorophenyl)acetyl]-N-cyano-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine CAS Name: 4-[2-(4-chlorophenyl)-1-oxoethyl]-N-cyano-N'-(2-methylphenyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: 4-[2-(4-chlorophenyl)acetyl]-N-cyano-N'-(2-methylphenyl)-3-phenylpiperazine-1-carboximidamide Traditional Name: 4-[2-(4-chlorophenyl)acetyl]-N-cyano-N'-(o-tolyl)-3-phenyl-piperazine-1-carboxamidine Formula: C27H26ClN5O MolecularWeight: 471.98124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1N=C(NC#N)N2CCN(C(C2)C3=CC=CC=C3)C(=O)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN5O/c1-20-7-5-6-10-24(20)31-27(30-19-29)32-15-16-33(25(18-32)22-8-3-2-4-9-22)26(34)17-21-11-13-23(28)14-12-21/h2-14,25H,15-18H2,1H3,(H,30,31)