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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H38ClN3O3/c1-2-33-26(32)21-8-13-28(14-9-21)24-10-15-29(16-11-24)23-6-7-25(31)30(17-12-23)19-20-4-3-5-22(27)18-20/h3-5,18,21,23-24H,2,6-17,19H2,1H3