3-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-6,7-dimethoxy-2-(phenylmethyl)quinazolin-4-one

Systemtic Name: 3-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-6,7-dimethoxy-2-(phenylmethyl)quinazolin-4-one Openeye Name: 2-benzyl-6,7-dimethoxy-3-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]quinazolin-4-one CAS Name: 3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-6,7-dimethoxy-2-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-benzyl-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-6,7-dimethoxyquinazolin-4-one Traditional Name: 2-benzyl-6,7-dimethoxy-3-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]quinazolin-4-one Formula: C26H20F6N2O4 MolecularWeight: 538.438419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CC3=CC=CC=C3)C4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O)OC

InChI

InChI=1S/C26H20F6N2O4/c1-37-20-13-18-19(14-21(20)38-2)33-22(12-15-6-4-3-5-7-15)34(23(18)35)17-10-8-16(9-11-17)24(36,25(27,28)29)26(30,31)32/h3-11,13-14,36H,12H2,1-2H3