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

Systemtic Name: 4-[(3,4-dimethylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(3,4-dimethylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3,4-dimethylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(3,4-dimethylphenyl)methyl]-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,4-dimethylbenzyl)-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-16-4-5-18(14-17(16)2)15-23-10-3-11-24(13-12-23)21(26)22-19-6-8-20(9-7-19)25(27)28/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,26)