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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(p-tolyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(p-tolyl)quinazolin-4-one Formula: C24H17IN2O3 MolecularWeight: 508.30785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H17IN2O3/c1-15-2-7-18(8-3-15)27-23(26-20-9-6-17(25)13-19(20)24(27)28)11-5-16-4-10-21-22(12-16)30-14-29-21/h2-13H,14H2,1H3/b11-5+