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

Systemtic Name: ethyl 1-[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]isonipecotic acid ethyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H36N4O4/c1-2-33-25(32)19-10-13-28(14-11-19)23(30)20-7-3-4-8-21(20)24(31)29-17-15-27(16-18-29)22-9-5-6-12-26-22/h5-6,9,12,19-21H,2-4,7-8,10-11,13-18H2,1H3