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

Systemtic Name: 1-phenylethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 1-phenylethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid 1-phenylethyl ester Formula: C24H22N4O3 MolecularWeight: 414.45648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3/c1-3-28-23(29)20(26-22-15-25-14-18-11-7-8-12-19(18)22)13-21(27-28)24(30)31-16(2)17-9-5-4-6-10-17/h4-16,26H,3H2,1-2H3