1-methyl-2,4-bis[3-(trifluoromethyl)phenyl]pyrazol-3-one

Systemtic Name: 1-methyl-2,4-bis[3-(trifluoromethyl)phenyl]pyrazol-3-one Openeye Name: 1-methyl-2,4-bis[3-(trifluoromethyl)phenyl]pyrazol-3-one CAS Name: 1-methyl-2,4-bis[3-(trifluoromethyl)phenyl]-3-pyrazolone IUPAC Name: 1-methyl-2,4-bis[3-(trifluoromethyl)phenyl]pyrazol-3-one Traditional Name: 1-methyl-2,4-bis[3-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C18H12F6N2O MolecularWeight: 386.291099

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H12F6N2O/c1-25-10-15(11-4-2-5-12(8-11)17(19,20)21)16(27)26(25)14-7-3-6-13(9-14)18(22,23)24/h2-10H,1H3