(2S)-2-(3-bromanyl-4-oxidanyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(3-bromanyl-4-oxidanyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(3-bromo-4-hydroxy-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(3-bromo-4-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(3-bromo-4-hydroxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(3-bromo-4-hydroxy-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydroquinazolin-4-one Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(NC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3[C@H](NC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)Br

InChI

InChI=1S/C22H17BrN2O4/c23-16-11-13(5-7-18(16)26)21-24-17-4-2-1-3-15(17)22(27)25(21)14-6-8-19-20(12-14)29-10-9-28-19/h1-8,11-12,21,24,26H,9-10H2/t21-/m0/s1