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

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

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NNC(=N3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NNC(=N3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N6O3/c1-9-3-2-6-24(8-9)11-5-4-10(7-12(11)25(27)28)13(26)20-15-21-14(22-23-15)16(17,18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H2,20,21,22,23,26)