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

Systemtic Name: (phenylmethyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-2-yl-pyridazine-4-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O3S/c1-2-31-26(32)25(29-21-16-28-15-19-11-6-7-12-20(19)21)23(24(30-31)22-13-8-14-35-22)27(33)34-17-18-9-4-3-5-10-18/h3-16,29H,2,17H2,1H3