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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=NC2=C(C1=O)C=CC3=CC(=CN=C32)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)C1C=NC2=C(C1=O)C=CC3=CC(=CN=C32)C(=O)N4CCC5=CC=CC=C5C4

InChI

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