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

Systemtic Name: 3-[3-azanylpropyl-(4-methylphenyl)amino]azepan-2-one Openeye Name: 3-[N-(3-aminopropyl)-4-methyl-anilino]azepan-2-one CAS Name: 3-[N-(3-aminopropyl)-4-methylanilino]-2-azepanone IUPAC Name: 3-[N-(3-aminopropyl)-4-methylanilino]azepan-2-one Traditional Name: 3-[N-(3-aminopropyl)-4-methyl-anilino]azepan-2-one Formula: C16H25N3O MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCN)C2CCCCNC2=O

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCN)C2CCCCNC2=O

InChI

InChI=1S/C16H25N3O/c1-13-6-8-14(9-7-13)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)