methyl 6-[3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-(2-benzyl-3-oxo-piperazine-1-carbonyl)pyridine-3-carboxylate CAS Name: 6-[oxo-[3-oxo-2-(phenylmethyl)-1-piperazinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-benzyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylate Traditional Name: 6-(2-benzyl-3-keto-piperazine-1-carbonyl)nicotinic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCNC(=O)C2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCNC(=O)C2CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4/c1-26-19(25)14-7-8-15(21-12-14)18(24)22-10-9-20-17(23)16(22)11-13-5-3-2-4-6-13/h2-8,12,16H,9-11H2,1H3,(H,20,23)