4-[3-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(4-methoxyphenyl)-5,7-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H13F6N3O2 MolecularWeight: 453.337239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3N=C(C=C(N3NC2=C4C=CC(=O)C=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3N=C(C=C(N3NC2=C4C=CC(=O)C=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H13F6N3O2/c1-32-14-8-4-11(5-9-14)17-18(12-2-6-13(31)7-3-12)29-30-16(21(25,26)27)10-15(20(22,23)24)28-19(17)30/h2-10,29H,1H3