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

Systemtic Name: (3-cyanophenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)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-cyanobenzyl) ester Formula: C24H19N5O3 MolecularWeight: 425.43936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N5O3/c1-2-29-23(30)20(27-22-14-26-13-18-8-3-4-9-19(18)22)11-21(28-29)24(31)32-15-17-7-5-6-16(10-17)12-25/h3-11,13-14,27H,2,15H2,1H3