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

Systemtic Name: 3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]-4-piperidin-1-ylbenzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-3-nitro-4-piperidino-benzamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O4/c26-20-8-3-1-4-14-24(20)15-7-11-22-21(27)17-9-10-18(19(16-17)25(28)29)23-12-5-2-6-13-23/h9-10,16H,1-8,11-15H2,(H,22,27)