N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-phenylethanoyl)piperazine-1-carboximidamide

Systemtic Name: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-phenylethanoyl)piperazine-1-carboximidamide Openeye Name: N-cyano-N'-(o-tolyl)-3-phenyl-4-(2-phenylacetyl)piperazine-1-carboxamidine CAS Name: N-cyano-N'-(2-methylphenyl)-4-(1-oxo-2-phenylethyl)-3-phenyl-1-piperazinecarboximidamide IUPAC Name: N-cyano-N'-(2-methylphenyl)-3-phenyl-4-(2-phenylacetyl)piperazine-1-carboximidamide Traditional Name: N-cyano-N'-(o-tolyl)-3-phenyl-4-(2-phenylacetyl)piperazine-1-carboxamidine Formula: C27H27N5O MolecularWeight: 437.53618

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O/c1-21-10-8-9-15-24(21)30-27(29-20-28)31-16-17-32(25(19-31)23-13-6-3-7-14-23)26(33)18-22-11-4-2-5-12-22/h2-15,25H,16-19H2,1H3,(H,29,30)