4-[[3-[[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]carbonyl]phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[3-[[3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]carbonyl]phenyl]methoxy]benzenecarbonitrile Openeye Name: 4-[[3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile CAS Name: 4-[[3-[[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-oxomethyl]phenyl]methoxy]benzonitrile IUPAC Name: 4-[[3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile Traditional Name: 4-[3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazoline-1-carbonyl]benzyl]oxybenzonitrile Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16F3N3O3/c1-13-10-19(28,20(21,22)23)26(25-13)18(27)16-4-2-3-15(9-16)12-29-17-7-5-14(11-24)6-8-17/h2-9,28H,10,12H2,1H3