[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-15-7-8-16(13-21-15)19(26)28-14-18(25)23-9-11-24(12-10-23)20(27)22-17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,22,27)