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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)-6-iodanyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2,4-dimethylphenyl)-6-iodo-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)-6-iodo-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,4-dimethylphenyl)-6-iodoquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2,4-dimethylphenyl)-6-iodo-quinazolin-4-one Formula: C25H19IN2O3 MolecularWeight: 522.33443

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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)C

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)C

InChI

InChI=1S/C25H19IN2O3/c1-15-3-8-21(16(2)11-15)28-24(27-20-7-6-18(26)13-19(20)25(28)29)10-5-17-4-9-22-23(12-17)31-14-30-22/h3-13H,14H2,1-2H3/b10-5+