[4-(4-azanylbutyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-(4-azanylbutyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(p-tolyl)methanone CAS Name: [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone IUPAC Name: [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-(4-aminobutyl)-1,4-diazepan-1-yl]-(p-tolyl)methanone Formula: C17H27N3O MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CCCCN

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CCCCN

InChI

InChI=1S/C17H27N3O/c1-15-5-7-16(8-6-15)17(21)20-12-4-11-19(13-14-20)10-3-2-9-18/h5-8H,2-4,9-14,18H2,1H3