3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-(4-nitrophenyl)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-nitrophenyl)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-nitrophenyl)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-nitrophenyl)-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-nitrophenyl)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-nitrophenyl)piperazino]quinazolin-4-one Formula: C30H28F2N8O4 MolecularWeight: 602.591326

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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)[N+](=O)[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)[N+](=O)[O-]

InChI

InChI=1S/C30H28F2N8O4/c1-20(30(42,16-38-18-33-17-35-38)26-9-2-21(31)14-27(26)32)39-19-34-28-15-24(7-8-25(28)29(39)41)37-12-10-36(11-13-37)22-3-5-23(6-4-22)40(43)44/h2-9,14-15,17-20,42H,10-13,16H2,1H3