2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-3-(p-tolyl)quinazolin-4-one Formula: C24H17BrN2O3 MolecularWeight: 461.30738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C24H17BrN2O3/c1-15-6-9-17(10-7-15)27-23(26-20-5-3-2-4-18(20)24(27)28)11-8-16-12-21-22(13-19(16)25)30-14-29-21/h2-13H,14H2,1H3/b11-8+