N-(5-methyl-1H-pyrazol-3-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(5-methyl-1H-pyrazol-3-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C17H18F3N5O3 MolecularWeight: 397.35173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18F3N5O3/c1-10-8-15(23-22-10)21-16(26)11-4-6-24(7-5-11)13-3-2-12(17(18,19)20)9-14(13)25(27)28/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22,23,26)