4-(azepan-1-yl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(dimethylaminomethyl)benzyl]-3-nitro-benzamide Formula: C23H30N4O3 MolecularWeight: 410.5093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3/c1-25(2)17-20-10-6-5-9-19(20)16-24-23(28)18-11-12-21(22(15-18)27(29)30)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3,(H,24,28)