1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(2-oxidanylideneazepan-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(2-oxo-1-azepanyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H29F3N4O4 MolecularWeight: 470.48527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29F3N4O4/c23-22(24,25)17-6-7-18(19(15-17)29(32)33)27-13-8-16(9-14-27)21(31)26-10-4-12-28-11-3-1-2-5-20(28)30/h6-7,15-16H,1-5,8-14H2,(H,26,31)