2-[4-(2-azanylethyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-(2-azanylethyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(m-tolyl)acetamide Formula: C16H26N4O MolecularWeight: 290.40384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2CCCN(CC2)CCN

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2CCCN(CC2)CCN

InChI

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