3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]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-[4-(5-oxidanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]quinazolin-4-one Openeye Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-[4-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]quinazolin-4-one CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]-1-piperazinyl]-4-quinazolinone IUPAC Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]quinazolin-4-one Traditional Name: 3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-7-[4-[4-(5-keto-1H-1,2,4-triazol-4-yl)phenyl]piperazino]quinazolin-4-one Formula: C32H30F2N10O3 MolecularWeight: 640.642606

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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)N5CCN(CC5)C6=CC=C(C=C6)N7C=NNC7=O

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)N5CCN(CC5)C6=CC=C(C=C6)N7C=NNC7=O

InChI

InChI=1S/C32H30F2N10O3/c1-21(32(47,16-42-18-35-17-38-42)27-9-2-22(33)14-28(27)34)43-19-36-29-15-25(7-8-26(29)30(43)45)41-12-10-40(11-13-41)23-3-5-24(6-4-23)44-20-37-39-31(44)46/h2-9,14-15,17-21,47H,10-13,16H2,1H3,(H,39,46)