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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCCN3CCCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O4/c1-17-7-5-13-25(16-17)19-10-9-18(15-20(19)26(29)30)22(28)23-11-6-14-24-12-4-2-3-8-21(24)27/h9-10,15,17H,2-8,11-14,16H2,1H3,(H,23,28)