ethyl 1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-pyridylmethyl)piperidine-3-carboxylate CAS Name: 1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-(2-pyridinylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-(4-phenylpiperazino)ethyl]-3-(2-pyridylmethyl)nipecotic acid ethyl ester Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C26H34N4O3/c1-2-33-25(32)26(19-22-9-6-7-13-27-22)12-8-14-28(21-26)20-24(31)30-17-15-29(16-18-30)23-10-4-3-5-11-23/h3-7,9-11,13H,2,8,12,14-21H2,1H3