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

Systemtic Name: (phenylmethyl) 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O4/c1-3-29-24(31)22(27-20-14-26-13-18-11-7-8-12-19(18)20)21(16(2)30)23(28-29)25(32)33-15-17-9-5-4-6-10-17/h4-14,27H,3,15H2,1-2H3