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

Systemtic Name: 3-ethyl-6-iodanyl-2-[(E)-2-[1-(phenylmethyl)indol-3-yl]ethenyl]quinazolin-4-one Openeye Name: 2-[(E)-2-(1-benzylindol-3-yl)vinyl]-3-ethyl-6-iodo-quinazolin-4-one CAS Name: 3-ethyl-6-iodo-2-[(E)-2-[1-(phenylmethyl)-3-indolyl]ethenyl]-4-quinazolinone IUPAC Name: 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-ethyl-6-iodoquinazolin-4-one Traditional Name: 2-[(E)-2-(1-benzylindol-3-yl)vinyl]-3-ethyl-6-iodo-quinazolin-4-one Formula: C27H22IN3O MolecularWeight: 531.38755

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C(C1=O)C=C(C=C2)I)C=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=NC2=C(C1=O)C=C(C=C2)I)/C=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H22IN3O/c1-2-31-26(29-24-14-13-21(28)16-23(24)27(31)32)15-12-20-18-30(17-19-8-4-3-5-9-19)25-11-7-6-10-22(20)25/h3-16,18H,2,17H2,1H3/b15-12+