[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: 2-methyl-6-phenyl-nicotinic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3/c1-20-23(12-13-24(27-20)22-10-6-3-7-11-22)26(31)32-19-25(30)29-16-14-28(15-17-29)18-21-8-4-2-5-9-21/h2-13H,14-19H2,1H3