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

Systemtic Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-6-iodanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iodo-quinazolin-4-one CAS Name: 2-[(E)-2-(1,2-dimethyl-3-indolyl)ethenyl]-3-(3-hydroxypropyl)-6-iodo-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4-one Traditional Name: 2-[(E)-2-(1,2-dimethylindol-3-yl)vinyl]-3-(3-hydroxypropyl)-6-iodo-quinazolin-4-one Formula: C23H22IN3O2 MolecularWeight: 499.34415

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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)N3CCCO

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CCCO

InChI

InChI=1S/C23H22IN3O2/c1-15-17(18-6-3-4-7-21(18)26(15)2)9-11-22-25-20-10-8-16(24)14-19(20)23(29)27(22)12-5-13-28/h3-4,6-11,14,28H,5,12-13H2,1-2H3/b11-9+