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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(4-bromophenyl)-6-iodanyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(4-bromophenyl)-6-iodo-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(4-bromophenyl)-6-iodo-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(4-bromophenyl)-6-iodoquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(4-bromophenyl)-6-iodo-quinazolin-4-one Formula: C23H14BrIN2O3 MolecularWeight: 573.17733

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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=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H14BrIN2O3/c24-15-3-6-17(7-4-15)27-22(26-19-8-5-16(25)12-18(19)23(27)28)10-2-14-1-9-20-21(11-14)30-13-29-20/h1-12H,13H2/b10-2+