2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-iodanyl-3-(4-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-iodanyl-3-(4-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-iodo-3-(4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6-iodo-3-(4-methoxyphenyl)quinazolin-4-one Formula: C25H21IN2O4 MolecularWeight: 540.34971

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H21IN2O4/c1-30-19-9-7-18(8-10-19)28-24(27-21-11-6-17(26)15-20(21)25(28)29)13-5-16-4-12-22(31-2)23(14-16)32-3/h4-15H,1-3H3/b13-5+