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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-phenylazanyl-quinazolin-4-one Openeye Name: 3-anilino-2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-quinazolin-4-one CAS Name: 3-anilino-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-4-quinazolinone IUPAC Name: 3-anilino-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodoquinazolin-4-one Traditional Name: 3-anilino-2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-quinazolin-4-one Formula: C23H16IN3O3 MolecularWeight: 509.29591

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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)N3NC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3NC5=CC=CC=C5

InChI

InChI=1S/C23H16IN3O3/c24-16-8-9-19-18(13-16)23(28)27(26-17-4-2-1-3-5-17)22(25-19)11-7-15-6-10-20-21(12-15)30-14-29-20/h1-13,26H,14H2/b11-7+