[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4H-pyrazol-1-yl]methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4H-pyrazol-1-yl]methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-[3,5-bis(difluoromethyl)-5-hydroxy-2-pyrazolin-1-yl]methanone Formula: C22H15F4N3O4 MolecularWeight: 461.365813

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C(F)F)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(F)F

Isomeric SMILES

C1C(=NN(C1(C(F)F)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(F)F

InChI

InChI=1S/C22H15F4N3O4/c23-19(24)16-9-22(31,21(25)26)29(28-16)20(30)13-8-15(27-14-4-2-1-3-12(13)14)11-5-6-17-18(7-11)33-10-32-17/h1-8,19,21,31H,9-10H2