1-(2-nitrophenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(2-nitrophenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O4/c26-20-9-2-1-5-13-24(20)14-6-12-22-21(27)17-10-15-23(16-11-17)18-7-3-4-8-19(18)25(28)29/h3-4,7-8,17H,1-2,5-6,9-16H2,(H,22,27)