4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H18F3N5O2 MolecularWeight: 429.39513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC4=C3C=CC(=C4)OC)C(F)(F)F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=NC4=C3C=CC(=C4)OC)C(F)(F)F

InChI

InChI=1S/C21H18F3N5O2/c1-12-17(19(30)29(28(12)2)13-7-5-4-6-8-13)26-18-15-10-9-14(31-3)11-16(15)25-20(27-18)21(22,23)24/h4-11H,1-3H3,(H,25,26,27)