N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H26F3N5O4 MolecularWeight: 457.44675

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCN(CC2)CC(=O)N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCN(CC2)CC(=O)N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H26F3N5O4/c21-20(22,23)14-1-2-16(17(11-14)28(31)32)27-9-3-13(4-10-27)19(30)25-15-5-7-26(8-6-15)12-18(24)29/h1-2,11,13,15H,3-10,12H2,(H2,24,29)(H,25,30)