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

Systemtic Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethyl-6-iodanyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-3-ethyl-6-iodo-quinazolin-4-one CAS Name: 2-[(E)-2-(1,2-dimethyl-3-indolyl)ethenyl]-3-ethyl-6-iodo-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethyl-6-iodoquinazolin-4-one Traditional Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-3-ethyl-6-iodo-quinazolin-4-one Formula: C22H20IN3O MolecularWeight: 469.31817

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C(C1=O)C=C(C=C2)I)C=CC3=C(N(C4=CC=CC=C43)C)C

Isomeric SMILES

CCN1C(=NC2=C(C1=O)C=C(C=C2)I)/C=C/C3=C(N(C4=CC=CC=C43)C)C

InChI

InChI=1S/C22H20IN3O/c1-4-26-21(24-19-11-9-15(23)13-18(19)22(26)27)12-10-16-14(2)25(3)20-8-6-5-7-17(16)20/h5-13H,4H2,1-3H3/b12-10+