2-(1-azanylisoquinolin-7-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-(1-amino-7-isoquinolyl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-(1-amino-7-isoquinolinyl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-(1-aminoisoquinolin-7-yl)-8-(4-iodophenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(1-amino-7-isoquinolyl)-8-(4-iodophenyl)-3,4-dihydroisocarbostyril Formula: C24H18IN3O MolecularWeight: 491.32369

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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)C=CN=C5N

Isomeric SMILES

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

InChI

InChI=1S/C24H18IN3O/c25-18-7-4-15(5-8-18)20-3-1-2-17-11-13-28(24(29)22(17)20)19-9-6-16-10-12-27-23(26)21(16)14-19/h1-10,12,14H,11,13H2,(H2,26,27)