N-(3-methylphenyl)-4-[(3-nitrophenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[(3-nitrophenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(m-tolyl)-4-[(3-nitrophenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[(3-nitrophenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-methylphenyl)-4-[(3-nitrophenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(m-tolyl)-4-(3-nitrobenzyl)-1,4-diazepane-1-carboxamide Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-16-5-2-7-18(13-16)21-20(25)23-10-4-9-22(11-12-23)15-17-6-3-8-19(14-17)24(26)27/h2-3,5-8,13-14H,4,9-12,15H2,1H3,(H,21,25)