1-[4-(3-azanylpropyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone

Systemtic Name: 1-[4-(3-azanylpropyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone Openeye Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-(o-tolyl)ethanone CAS Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone IUPAC Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-(2-methylphenyl)ethanone Traditional Name: 1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-(o-tolyl)ethanone Formula: C17H27N3O MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCCN(CC2)CCCN

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCCN(CC2)CCCN

InChI

InChI=1S/C17H27N3O/c1-15-6-2-3-7-16(15)14-17(21)20-11-5-10-19(12-13-20)9-4-8-18/h2-3,6-7H,4-5,8-14,18H2,1H3