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

Systemtic Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-6-iodanyl-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-6-iodo-3-(m-tolyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,2-dimethyl-3-indolyl)ethenyl]-6-iodo-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-6-iodo-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-6-iodo-3-(m-tolyl)quinazolin-4-one Formula: C27H22IN3O MolecularWeight: 531.38755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22IN3O/c1-17-7-6-8-20(15-17)31-26(29-24-13-11-19(28)16-23(24)27(31)32)14-12-21-18(2)30(3)25-10-5-4-9-22(21)25/h4-16H,1-3H3/b14-12+