ethyl 1-[1-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]piperidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[[7-fluoranyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]piperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-[[7-fluoro-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl]-4-piperidyl]piperidine-3-carboxylate CAS Name: 1-[1-[[7-fluoro-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl]-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[[7-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]piperidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-[[7-fluoro-2-keto-1-(2-pyridylmethyl)-3-quinolyl]methyl]-4-piperidyl]nipecotic acid ethyl ester Formula: C29H35FN4O3 MolecularWeight: 506.611603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC4=C(C=C(C=C4)F)N(C3=O)CC5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CCN(CC2)CC3=CC4=C(C=C(C=C4)F)N(C3=O)CC5=CC=CC=N5

InChI

InChI=1S/C29H35FN4O3/c1-2-37-29(36)22-6-5-13-33(19-22)26-10-14-32(15-11-26)18-23-16-21-8-9-24(30)17-27(21)34(28(23)35)20-25-7-3-4-12-31-25/h3-4,7-9,12,16-17,22,26H,2,5-6,10-11,13-15,18-20H2,1H3