5-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-1-cyclopropyl-4-oxidanylidene-N-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: 5-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-1-cyclopropyl-4-oxidanylidene-N-(phenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzyl-5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-cyclopropyl-4-oxo-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropyl-4-oxopyridine-3-carboxamide Traditional Name: N-benzyl-5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropyl-4-keto-nicotinamide Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C=C(C(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H27ClN4O3/c28-20-6-8-21(9-7-20)30-12-14-31(15-13-30)27(35)24-18-32(22-10-11-22)17-23(25(24)33)26(34)29-16-19-4-2-1-3-5-19/h1-9,17-18,22H,10-16H2,(H,29,34)