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

Systemtic Name: ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-oxidanylidene-8H-1,10-phenanthroline-2-carboxylate Openeye Name: ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-oxo-8H-1,10-phenanthroline-2-carboxylate CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-oxo-8H-1,10-phenanthroline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-oxo-8H-1,10-phenanthroline-2-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-keto-8H-1,10-phenanthroline-2-carboxylic acid ethyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C3C(=CCC=N3)C=CC2=C(C1=O)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)C1=NC2=C3C(=CCC=N3)C=CC2=C(C1=O)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H21N3O4/c1-2-32-25(31)22-23(29)19(18-10-9-16-8-5-12-26-20(16)21(18)27-22)24(30)28-13-11-15-6-3-4-7-17(15)14-28/h3-4,6-10,12H,2,5,11,13-14H2,1H3