2-(4-methylpiperidin-1-yl)-5-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 2-(4-methyl-1-piperidyl)-5-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 2-(4-methylpiperidin-1-yl)-5-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C22H32N4O4/c1-17-9-14-24(15-10-17)20-8-7-18(26(29)30)16-19(20)22(28)23-11-5-13-25-12-4-2-3-6-21(25)27/h7-8,16-17H,2-6,9-15H2,1H3,(H,23,28)