6-iodanyl-2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 6-iodo-2-[(E)-2-(1-methylindol-3-yl)vinyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 6-iodo-2-[(E)-2-(1-methyl-3-indolyl)ethenyl]-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 6-iodo-2-[(E)-2-(1-methylindol-3-yl)vinyl]-3-(p-tolyl)quinazolin-4-one Formula: C26H20IN3O MolecularWeight: 517.36097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C26H20IN3O/c1-17-7-11-20(12-8-17)30-25(28-23-13-10-19(27)15-22(23)26(30)31)14-9-18-16-29(2)24-6-4-3-5-21(18)24/h3-16H,1-2H3/b14-9+