[4-(2-methyl-5-nitro-pyridin-3-yl)carbonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-(2-methyl-5-nitro-pyridin-3-yl)carbonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Openeye Name: [4-(2-methyl-5-nitro-pyridine-3-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone CAS Name: [4-[(2-methyl-5-nitro-3-pyridinyl)-oxomethyl]-1-piperazinyl]-[3-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-(2-methyl-5-nitropyridine-3-carbonyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone Traditional Name: [4-(2-methyl-5-nitro-nicotinoyl)piperazino]-[3-(trifluoromethyl)phenyl]methanone Formula: C19H17F3N4O4 MolecularWeight: 422.35789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N4O4/c1-12-16(10-15(11-23-12)26(29)30)18(28)25-7-5-24(6-8-25)17(27)13-3-2-4-14(9-13)19(20,21)22/h2-4,9-11H,5-8H2,1H3