(4-fluorophenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate

Systemtic Name: (4-fluorophenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate Openeye Name: (4-fluorophenyl)methyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(2-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-thiophen-2-yl-4-pyridazinecarboxylic acid (4-fluorophenyl)methyl ester IUPAC Name: (4-fluorophenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-thiophen-2-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(2-thienyl)pyridazine-4-carboxylic acid (4-fluorobenzyl) ester Formula: C27H21FN4O3S MolecularWeight: 500.544043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC3=CC=C(C=C3)F)NC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC=CS2)C(=O)OCC3=CC=C(C=C3)F)NC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C27H21FN4O3S/c1-2-32-26(33)25(30-21-15-29-14-18-6-3-4-7-20(18)21)23(24(31-32)22-8-5-13-36-22)27(34)35-16-17-9-11-19(28)12-10-17/h3-15,30H,2,16H2,1H3