N-(2-methyl-3-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H28N4O3/c1-17-7-3-4-8-19(17)15-24-11-6-12-25(14-13-24)16-22(27)23-20-9-5-10-21(18(20)2)26(28)29/h3-5,7-10H,6,11-16H2,1-2H3,(H,23,27)