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

Systemtic Name: 7-[4-(4-aminophenyl)piperazin-1-yl]-3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one Openeye Name: 7-[4-(4-aminophenyl)piperazin-1-yl]-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]quinazolin-4-one CAS Name: 7-[4-(4-aminophenyl)-1-piperazinyl]-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-quinazolinone IUPAC Name: 7-[4-(4-aminophenyl)piperazin-1-yl]-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one Traditional Name: 7-[4-(4-aminophenyl)piperazino]-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]quinazolin-4-one Formula: C30H30F2N8O2 MolecularWeight: 572.608406

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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

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

InChI

InChI=1S/C30H30F2N8O2/c1-20(30(42,16-39-18-34-17-36-39)26-9-2-21(31)14-27(26)32)40-19-35-28-15-24(7-8-25(28)29(40)41)38-12-10-37(11-13-38)23-5-3-22(33)4-6-23/h2-9,14-15,17-20,42H,10-13,16,33H2,1H3