1-(4-chlorophenyl)carbonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)carbonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-3-carboxamide Openeye Name: 1-(4-chlorobenzoyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-N-[3-(2-oxo-1-azepanyl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(4-chlorobenzoyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide Traditional Name: 1-(4-chlorobenzoyl)-N-[3-(2-ketoazepan-1-yl)propyl]nipecotamide Formula: C22H30ClN3O3 MolecularWeight: 419.9449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H30ClN3O3/c23-19-10-8-17(9-11-19)22(29)26-14-4-6-18(16-26)21(28)24-12-5-15-25-13-3-1-2-7-20(25)27/h8-11,18H,1-7,12-16H2,(H,24,28)