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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2,4-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2,4-dimethylphenyl)quinazolin-4-one Formula: C25H20N2O3 MolecularWeight: 396.4379

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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=C4)OCO5)C

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O3/c1-16-7-10-21(17(2)13-16)27-24(26-20-6-4-3-5-19(20)25(27)28)12-9-18-8-11-22-23(14-18)30-15-29-22/h3-14H,15H2,1-2H3/b12-9+