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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-naphthalen-1-yl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(1-naphthyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(1-naphthalenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(1-naphthyl)quinazolin-4-one Formula: C27H17IN2O3 MolecularWeight: 544.33995

Click to see the large picture

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=CC6=CC=CC=C65

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C27H17IN2O3/c28-19-10-11-22-21(15-19)27(31)30(23-7-3-5-18-4-1-2-6-20(18)23)26(29-22)13-9-17-8-12-24-25(14-17)33-16-32-24/h1-15H,16H2/b13-9+