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

Systemtic Name: butanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-3-phenyl-pyridazine-4-carboxylate Openeye Name: butanoyloxymethyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-3-phenyl-pyridazine-4-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-phenyl-4-pyridazinecarboxylic acid 1-oxobutoxymethyl ester IUPAC Name: butanoyloxymethyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxo-3-phenylpyridazine-4-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-3-phenyl-pyridazine-4-carboxylic acid butyryloxymethyl ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCOC(=O)C1=C(C(=O)N(N=C1C2=CC=CC=C2)CC)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCCC(=O)OCOC(=O)C1=C(C(=O)N(N=C1C2=CC=CC=C2)CC)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C27H26N4O5/c1-3-10-22(32)35-17-36-27(34)23-24(18-11-6-5-7-12-18)30-31(4-2)26(33)25(23)29-21-16-28-15-19-13-8-9-14-20(19)21/h5-9,11-16,29H,3-4,10,17H2,1-2H3