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

Systemtic Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-6-iodanyl-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,2-dimethyl-3-indolyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one Formula: C27H22IN3O2 MolecularWeight: 547.38695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C=CC3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H22IN3O2/c1-17-21(22-9-4-5-10-25(22)30(17)2)12-14-26-29-24-13-11-18(28)15-23(24)27(32)31(26)19-7-6-8-20(16-19)33-3/h4-16H,1-3H3/b14-12+