4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-benzamide Openeye Name: 3-nitro-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]benzamide CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzamide IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-nitro-benzamide Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-15-3-5-16(6-4-15)14-22-9-2-10-23(12-11-22)18-8-7-17(20(21)25)13-19(18)24(26)27/h3-8,13H,2,9-12,14H2,1H3,(H2,21,25)