2-[4-(2-azanylethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-(2-azanylethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(o-tolyl)acetamide Formula: C16H26N4O MolecularWeight: 290.40384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2CCCN(CC2)CCN

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2CCCN(CC2)CCN

InChI

InChI=1S/C16H26N4O/c1-14-5-2-3-6-15(14)18-16(21)13-20-9-4-8-19(10-7-17)11-12-20/h2-3,5-6H,4,7-13,17H2,1H3,(H,18,21)