3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-8-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-8-methyl-quinazolin-4-one Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-8-methyl-quinazolin-4-one CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-8-methyl-4-quinazolinone IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-8-methylquinazolin-4-one Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-8-methyl-quinazolin-4-one Formula: C21H19F2N5O2 MolecularWeight: 411.404666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)C(C)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)C(C)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

InChI

InChI=1S/C21H19F2N5O2/c1-13-4-3-5-16-19(13)25-12-28(20(16)29)14(2)21(30,9-27-11-24-10-26-27)17-7-6-15(22)8-18(17)23/h3-8,10-12,14,30H,9H2,1-2H3