[3-(trifluoromethyl)phenyl]methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C24H19F3N4O3 MolecularWeight: 468.42787

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C24H19F3N4O3/c1-2-31-22(32)19(29-21-13-28-12-16-7-3-4-9-18(16)21)11-20(30-31)23(33)34-14-15-6-5-8-17(10-15)24(25,26)27/h3-13,29H,2,14H2,1H3