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

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

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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)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5

InChI

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