[4-(3-azanyl-2-methyl-propyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(3-azanyl-2-methyl-propyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(3-amino-2-methyl-propyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(3-amino-2-methyl-propyl)-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C17H27N3O MolecularWeight: 289.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-14-5-3-6-16(11-14)17(21)20-8-4-7-19(9-10-20)13-15(2)12-18/h3,5-6,11,15H,4,7-10,12-13,18H2,1-2H3