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

Systemtic Name: 6-iodanyl-2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)vinyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(1-methyl-3-indolyl)ethenyl]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)vinyl]quinazolin-4-one Formula: C22H20IN3O2 MolecularWeight: 485.31757

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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)N3CCCO

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CCCO

InChI

InChI=1S/C22H20IN3O2/c1-25-14-15(17-5-2-3-6-20(17)25)7-10-21-24-19-9-8-16(23)13-18(19)22(28)26(21)11-4-12-27/h2-3,5-10,13-14,27H,4,11-12H2,1H3/b10-7+