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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c28-22-6-5-15-26(22)19-10-8-18(9-11-19)24-23(29)17-7-12-20(21(16-17)27(30)31)25-13-3-1-2-4-14-25/h7-12,16H,1-6,13-15H2,(H,24,29)