2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-phenethyl-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-phenethylquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-phenethyl-quinazolin-4-one Formula: C25H19IN2O3 MolecularWeight: 522.33443

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(C=C(C=C4)I)C(=O)N3CCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CCC5=CC=CC=C5

InChI

InChI=1S/C25H19IN2O3/c26-19-8-9-21-20(15-19)25(29)28(13-12-17-4-2-1-3-5-17)24(27-21)11-7-18-6-10-22-23(14-18)31-16-30-22/h1-11,14-15H,12-13,16H2/b11-7+