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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(4-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(4-methoxyphenyl)quinazolin-4-one Formula: C24H18N2O4 MolecularWeight: 398.41072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H18N2O4/c1-28-18-10-8-17(9-11-18)26-23(25-20-5-3-2-4-19(20)24(26)27)13-7-16-6-12-21-22(14-16)30-15-29-21/h2-14H,15H2,1H3/b13-7+