3-butoxy-6-[2-methyl-4-phenoxy-3-(trifluoromethyl)-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-butoxy-6-[2-methyl-4-phenoxy-3-(trifluoromethyl)-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-butoxy-6-[2-methyl-4-phenoxy-3-(trifluoromethyl)-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 3-butoxy-6-[2-methyl-4-phenoxy-3-(trifluoromethyl)-1H-pyrazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-butoxy-6-[2-methyl-4-phenoxy-3-(trifluoromethyl)-1H-pyrazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-butoxy-6-[1-methyl-4-phenoxy-5-(trifluoromethyl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=O)C(=C2C(=C(N(N2)C)C(F)(F)F)OC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCOC1=CC(=O)C(=C2C(=C(N(N2)C)C(F)(F)F)OC3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H21F3N2O3/c1-3-4-12-28-15-10-11-16(17(27)13-15)18-19(29-14-8-6-5-7-9-14)20(21(22,23)24)26(2)25-18/h5-11,13,25H,3-4,12H2,1-2H3