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

Systemtic Name: [4-(3-azanylpropyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C16H25N3O MolecularWeight: 275.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-14-5-2-6-15(13-14)16(20)19-10-4-9-18(11-12-19)8-3-7-17/h2,5-6,13H,3-4,7-12,17H2,1H3