N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-4-nitro-benzamide Openeye Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-4-nitro-benzamide CAS Name: N-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-4-nitrobenzamide IUPAC Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-4-nitrobenzamide Traditional Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-4-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-14-13-16(20(26)23-11-2-9-21-10-12-23)5-8-18(14)22-19(25)15-3-6-17(7-4-15)24(27)28/h3-8,13,21H,2,9-12H2,1H3,(H,22,25)