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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-17-19(9-5-10-20(17)25(27)28)22-21(26)16-24-12-6-11-23(13-14-24)15-18-7-3-2-4-8-18/h2-5,7-10H,6,11-16H2,1H3,(H,22,26)