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

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-N-ethyl-4-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide Openeye Name: 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-ethyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-N-ethyl-4-oxo-1-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-ethyl-4-oxopyridine-3-carboxamide Traditional Name: 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-ethyl-4-keto-nicotinamide Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H27ClN4O3/c1-2-28-25(33)22-17-29(16-19-7-4-3-5-8-19)18-23(24(22)32)26(34)31-13-11-30(12-14-31)21-10-6-9-20(27)15-21/h3-10,15,17-18H,2,11-14,16H2,1H3,(H,28,33)