5-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1,2-dihydropyrazol-3-one Openeye Name: 5-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1,2-dihydropyrazol-3-one CAS Name: 5-[[2-[2-(trifluoromethyl)phenyl]-4-quinazolinyl]amino]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1,2-dihydropyrazol-3-one Traditional Name: 5-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-3-pyrazolin-3-one Formula: C18H12F3N5O MolecularWeight: 371.31599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=O)NN4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=O)NN4)C(F)(F)F

InChI

InChI=1S/C18H12F3N5O/c19-18(20,21)12-7-3-1-5-10(12)16-22-13-8-4-2-6-11(13)17(24-16)23-14-9-15(27)26-25-14/h1-9H,(H3,22,23,24,25,26,27)