1-(3-azanyl-1-piperidin-4-yl-azepan-2-yl)-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-(3-azanyl-1-piperidin-4-yl-azepan-2-yl)-2-(3-methoxyphenyl)ethanone Openeye Name: 1-[3-amino-1-(4-piperidyl)azepan-2-yl]-2-(3-methoxyphenyl)ethanone CAS Name: 1-[3-amino-1-(4-piperidinyl)-2-azepanyl]-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-(3-amino-1-piperidin-4-ylazepan-2-yl)-2-(3-methoxyphenyl)ethanone Traditional Name: 1-[3-amino-1-(4-piperidyl)azepan-2-yl]-2-(3-methoxyphenyl)ethanone Formula: C20H31N3O2 MolecularWeight: 345.47904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)C2C(CCCCN2C3CCNCC3)N

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)C2C(CCCCN2C3CCNCC3)N

InChI

InChI=1S/C20H31N3O2/c1-25-17-6-4-5-15(13-17)14-19(24)20-18(21)7-2-3-12-23(20)16-8-10-22-11-9-16/h4-6,13,16,18,20,22H,2-3,7-12,14,21H2,1H3