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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one Formula: C24H17IN2O4 MolecularWeight: 524.30725

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H17IN2O4/c1-29-18-4-2-3-17(13-18)27-23(26-20-8-7-16(25)12-19(20)24(27)28)10-6-15-5-9-21-22(11-15)31-14-30-21/h2-13H,14H2,1H3/b10-6+