2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-3-(4-methylphenyl)-6-oxidanylidene-pyridazine-4-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-3-(4-methylphenyl)-6-oxidanylidene-pyridazine-4-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-(p-tolyl)pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-3-(4-methylphenyl)-6-oxo-4-pyridazinecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-3-(4-methylphenyl)-6-oxopyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-(p-tolyl)pyridazine-4-carboxylic acid pivaloyloxymethyl ester Formula: C29H30N4O5 MolecularWeight: 514.5723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O5/c1-6-33-26(34)25(31-22-16-30-15-20-9-7-8-10-21(20)22)23(24(32-33)19-13-11-18(2)12-14-19)27(35)37-17-38-28(36)29(3,4)5/h7-16,31H,6,17H2,1-5H3