ethyl 1-[1-[(3-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-7-oxo-azepan-4-yl]piperidine-3-carboxylate CAS Name: 1-[1-[(3-fluorophenyl)methyl]-7-oxo-4-azepanyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-fluorophenyl)methyl]-7-oxoazepan-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-(3-fluorobenzyl)-7-keto-azepan-4-yl]nipecotic acid ethyl ester Formula: C21H29FN2O3 MolecularWeight: 376.464963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H29FN2O3/c1-2-27-21(26)17-6-4-11-23(15-17)19-8-9-20(25)24(12-10-19)14-16-5-3-7-18(22)13-16/h3,5,7,13,17,19H,2,4,6,8-12,14-15H2,1H3