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

Systemtic Name: (6-ethoxy-6-oxidanylidene-hexyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-thiophen-3-yl-pyridazine-4-carboxylate Openeye Name: (6-ethoxy-6-oxo-hexyl) 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(3-thienyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-(3-thiophenyl)-4-pyridazinecarboxylic acid (6-ethoxy-6-oxohexyl) ester IUPAC Name: (6-ethoxy-6-oxohexyl) 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-thiophen-3-ylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(3-thienyl)pyridazine-4-carboxylic acid (6-ethoxy-6-keto-hexyl) ester Formula: C28H30N4O5S MolecularWeight: 534.6266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CSC=C2)C(=O)OCCCCCC(=O)OCC)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CSC=C2)C(=O)OCCCCCC(=O)OCC)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C28H30N4O5S/c1-3-32-27(34)26(30-22-17-29-16-19-10-7-8-11-21(19)22)24(25(31-32)20-13-15-38-18-20)28(35)37-14-9-5-6-12-23(33)36-4-2/h7-8,10-11,13,15-18,30H,3-6,9,12,14H2,1-2H3