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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide Traditional Name: 4-(azepan-1-yl)-N-[3-(2-ketopyrrolidino)propyl]-3-nitro-benzamide Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCN3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCN3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4/c25-19-7-5-13-23(19)14-6-10-21-20(26)16-8-9-17(18(15-16)24(27)28)22-11-3-1-2-4-12-22/h8-9,15H,1-7,10-14H2,(H,21,26)