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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide Traditional Name: 4-(azepan-1-yl)-N-[3-(2-ketopyrrolidino)phenyl]-3-nitro-benzamide Formula: C23H26N4O4 MolecularWeight: 422.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)N4CCCC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)N4CCCC4=O)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4/c28-22-9-6-14-26(22)19-8-5-7-18(16-19)24-23(29)17-10-11-20(21(15-17)27(30)31)25-12-3-1-2-4-13-25/h5,7-8,10-11,15-16H,1-4,6,9,12-14H2,(H,24,29)