6-iodanyl-3-methyl-2-[(E)-2-[1-(phenylmethyl)indol-3-yl]ethenyl]quinazolin-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=C(C=C2)I)C=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=C(C=C2)I)/C=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H20IN3O/c1-29-25(28-23-13-12-20(27)15-22(23)26(29)31)14-11-19-17-30(16-18-7-3-2-4-8-18)24-10-6-5-9-21(19)24/h2-15,17H,16H2,1H3/b14-11+