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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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