3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-chloranyl-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-[3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-chloranyl-1,2-dihydroquinazolin-4-one Openeye Name: 7-chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-1,2-dihydroquinazolin-4-one CAS Name: 7-chloro-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,2-dihydroquinazolin-4-one IUPAC Name: 7-chloro-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,2-dihydroquinazolin-4-one Traditional Name: 7-chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-1,2-dihydroquinazolin-4-one Formula: C20H18ClF2N5O2 MolecularWeight: 433.839026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CNC4=C(C3=O)C=CC(=C4)Cl

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CNC4=C(C3=O)C=CC(=C4)Cl

InChI

InChI=1S/C20H18ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-10,12,25,30H,8,11H2,1H3