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

Systemtic Name: ethyl 1-[1-[1-[(4-chlorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-[1-[(4-chlorophenyl)methyl]-7-oxo-azepan-4-yl]-4-piperidyl]piperidine-3-carboxylate CAS Name: 1-[1-[1-[(4-chlorophenyl)methyl]-7-oxo-4-azepanyl]-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[1-[(4-chlorophenyl)methyl]-7-oxoazepan-4-yl]piperidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-[1-(4-chlorobenzyl)-7-keto-azepan-4-yl]-4-piperidyl]nipecotic acid ethyl ester Formula: C26H38ClN3O3 MolecularWeight: 476.05122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H38ClN3O3/c1-2-33-26(32)21-4-3-14-29(19-21)24-11-15-28(16-12-24)23-9-10-25(31)30(17-13-23)18-20-5-7-22(27)8-6-20/h5-8,21,23-24H,2-4,9-19H2,1H3