4-(4-methylpiperidin-1-yl)-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

Systemtic Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide Openeye Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide Traditional Name: 4-(4-methylpiperidino)-3-nitro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide Formula: C16H17F3N6O3 MolecularWeight: 398.33979

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NNC(=N3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NNC(=N3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N6O3/c1-9-4-6-24(7-5-9)11-3-2-10(8-12(11)25(27)28)13(26)20-15-21-14(22-23-15)16(17,18)19/h2-3,8-9H,4-7H2,1H3,(H2,20,21,22,23,26)