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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=CC3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5

InChI

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