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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-benzyl-6-iodo-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-benzyl-6-iodoquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-benzyl-6-iodo-quinazolin-4-one Formula: C24H17IN2O3 MolecularWeight: 508.30785

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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)N3CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C24H17IN2O3/c25-18-8-9-20-19(13-18)24(28)27(14-17-4-2-1-3-5-17)23(26-20)11-7-16-6-10-21-22(12-16)30-15-29-21/h1-13H,14-15H2/b11-7+