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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-phenyl-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-phenyl-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-phenylquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-phenyl-quinazolin-4-one Formula: C23H15IN2O3 MolecularWeight: 494.28127

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C23H15IN2O3/c24-16-8-9-19-18(13-16)23(27)26(17-4-2-1-3-5-17)22(25-19)11-7-15-6-10-20-21(12-15)29-14-28-20/h1-13H,14H2/b11-7+