8-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid

Systemtic Name: 8-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylic acid Openeye Name: 8-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid CAS Name: 8-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid IUPAC Name: 8-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid Traditional Name: 8-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-keto-3H-1,10-phenanthroline-3-carboxylic acid Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CN=C4C(=C3)C=CC5=C4N=CC(C5=O)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CN=C4C(=C3)C=CC5=C4N=CC(C5=O)C(=O)O

InChI

InChI=1S/C23H17N3O4/c27-21-17-6-5-14-9-16(10-24-19(14)20(17)25-11-18(21)23(29)30)22(28)26-8-7-13-3-1-2-4-15(13)12-26/h1-6,9-11,18H,7-8,12H2,(H,29,30)