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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC5=C(C=C4)OCO5)Br

Isomeric SMILES

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

InChI

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