N-(2-methyl-5-nitro-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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