3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(4-chloranylphenoxy)quinazolin-4-one

Systemtic Name: 3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(4-chloranylphenoxy)quinazolin-4-one Openeye Name: 7-(4-chlorophenoxy)-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]quinazolin-4-one CAS Name: 7-(4-chlorophenoxy)-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-quinazolinone IUPAC Name: 7-(4-chlorophenoxy)-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one Traditional Name: 7-(4-chlorophenoxy)-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]quinazolin-4-one Formula: C26H20ClF2N5O3 MolecularWeight: 523.918506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)OC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)OC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H20ClF2N5O3/c1-16(26(36,12-33-14-30-13-32-33)22-9-4-18(28)10-23(22)29)34-15-31-24-11-20(7-8-21(24)25(34)35)37-19-5-2-17(27)3-6-19/h2-11,13-16,36H,12H2,1H3