3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[(phenylmethyl)amino]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-[(phenylmethyl)amino]quinazolin-4-one Openeye Name: 7-(benzylamino)-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]quinazolin-4-one CAS Name: 3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[(phenylmethyl)amino]-4-quinazolinone IUPAC Name: 7-(benzylamino)-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one Traditional Name: 7-(benzylamino)-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]quinazolin-4-one Formula: C27H24F2N6O2 MolecularWeight: 502.515266

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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)NCC5=CC=CC=C5

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)NCC5=CC=CC=C5

InChI

InChI=1S/C27H24F2N6O2/c1-18(27(37,14-34-16-30-15-33-34)23-10-7-20(28)11-24(23)29)35-17-32-25-12-21(8-9-22(25)26(35)36)31-13-19-5-3-2-4-6-19/h2-12,15-18,31,37H,13-14H2,1H3