ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[2-(4-pyridyl)piperazin-1-yl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-(2-pyridin-4-yl-1-piperazinyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-pyridin-4-ylpiperazin-1-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[2-(4-pyridyl)piperazino]benzoyl]nipecotic acid ethyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3CCNCC3C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3CCNCC3C4=CC=NC=C4

InChI

InChI=1S/C24H30N4O3/c1-2-31-24(30)20-4-3-14-27(17-20)23(29)19-5-7-21(8-6-19)28-15-13-26-16-22(28)18-9-11-25-12-10-18/h5-12,20,22,26H,2-4,13-17H2,1H3