2-(3-azanyl-1,2-benzoxazol-5-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-(3-azanyl-1,2-benzoxazol-5-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(3-amino-1,2-benzoxazol-5-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-(3-amino-1,2-benzoxazol-5-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(3-amino-1,2-benzoxazol-5-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(3-aminoindoxazen-5-yl)-8-(4-iodophenyl)-3,4-dihydroisocarbostyril Formula: C22H16IN3O2 MolecularWeight: 481.28581

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C(C=CC=C21)C3=CC=C(C=C3)I)C4=CC5=C(C=C4)ON=C5N

Isomeric SMILES

C1CN(C(=O)C2=C(C=CC=C21)C3=CC=C(C=C3)I)C4=CC5=C(C=C4)ON=C5N

InChI

InChI=1S/C22H16IN3O2/c23-15-6-4-13(5-7-15)17-3-1-2-14-10-11-26(22(27)20(14)17)16-8-9-19-18(12-16)21(24)25-28-19/h1-9,12H,10-11H2,(H2,24,25)