1-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[1-(1-azepanyl)-1-oxopropan-2-yl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-N-phenyl-nipecotamide Formula: C21H31N3O2 MolecularWeight: 357.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2CCCC(C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2/c1-17(21(26)23-13-7-2-3-8-14-23)24-15-9-10-18(16-24)20(25)22-19-11-5-4-6-12-19/h4-6,11-12,17-18H,2-3,7-10,13-16H2,1H3,(H,22,25)