3-[3-azanylpropyl-(4-methoxyphenyl)amino]azepan-2-one

Systemtic Name: 3-[3-azanylpropyl-(4-methoxyphenyl)amino]azepan-2-one Openeye Name: 3-[N-(3-aminopropyl)-4-methoxy-anilino]azepan-2-one CAS Name: 3-[N-(3-aminopropyl)-4-methoxyanilino]-2-azepanone IUPAC Name: 3-[N-(3-aminopropyl)-4-methoxyanilino]azepan-2-one Traditional Name: 3-[N-(3-aminopropyl)-4-methoxy-anilino]azepan-2-one Formula: C16H25N3O2 MolecularWeight: 291.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-21-14-8-6-13(7-9-14)19(12-4-10-17)15-5-2-3-11-18-16(15)20/h6-9,15H,2-5,10-12,17H2,1H3,(H,18,20)