N-methyl-N-(4-nitrophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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