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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C18H17F3N4O3 MolecularWeight: 394.34779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O3/c1-12-2-3-13(10-15(12)25(27)28)17(26)24-8-6-23(7-9-24)16-5-4-14(11-22-16)18(19,20)21/h2-5,10-11H,6-9H2,1H3