(3-chlorophenyl)methyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (3-chlorophenyl)methyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (3-chlorophenyl)methyl 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-acetyl-1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 4-acetyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 4-acetyl-1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid (3-chlorobenzyl) ester Formula: C25H21ClN4O4 MolecularWeight: 476.91164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O4/c1-3-30-24(32)22(28-20-13-27-12-17-8-4-5-10-19(17)20)21(15(2)31)23(29-30)25(33)34-14-16-7-6-9-18(26)11-16/h4-13,28H,3,14H2,1-2H3