3-[3-azanylpropyl-(3-methoxyphenyl)amino]azepan-2-one

Systemtic Name: 3-[3-azanylpropyl-(3-methoxyphenyl)amino]azepan-2-one Openeye Name: 3-[N-(3-aminopropyl)-3-methoxy-anilino]azepan-2-one CAS Name: 3-[N-(3-aminopropyl)-3-methoxyanilino]-2-azepanone IUPAC Name: 3-[N-(3-aminopropyl)-3-methoxyanilino]azepan-2-one Traditional Name: 3-[N-(3-aminopropyl)-3-methoxy-anilino]azepan-2-one Formula: C16H25N3O2 MolecularWeight: 291.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCCN)C2CCCCNC2=O

Isomeric SMILES

COC1=CC=CC(=C1)N(CCCN)C2CCCCNC2=O

InChI

InChI=1S/C16H25N3O2/c1-21-14-7-4-6-13(12-14)19(11-5-9-17)15-8-2-3-10-18-16(15)20/h4,6-7,12,15H,2-3,5,8-11,17H2,1H3,(H,18,20)