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

Systemtic Name: 1-phenylethyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: 1-phenylethyl 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 1-phenylethyl ester IUPAC Name: 1-phenylethyl 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 1-phenylethyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O4/c1-4-30-25(32)23(28-21-15-27-14-19-12-8-9-13-20(19)21)22(16(2)31)24(29-30)26(33)34-17(3)18-10-6-5-7-11-18/h5-15,17,28H,4H2,1-3H3