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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCCN)C2CCCCNC2=O

Isomeric SMILES

COC1=CC=CC=C1N(CCCN)C2CCCCNC2=O

InChI

InChI=1S/C16H25N3O2/c1-21-15-9-3-2-7-13(15)19(12-6-10-17)14-8-4-5-11-18-16(14)20/h2-3,7,9,14H,4-6,8,10-12,17H2,1H3,(H,18,20)