1-phenylpropan-2-yl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: 1-phenylpropan-2-yl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (1-methyl-2-phenyl-ethyl) 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-phenylpropan-2-yl ester IUPAC Name: 1-phenylpropan-2-yl 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-methyl-2-phenyl-ethyl) ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C(=O)OC(C)CC2=CC=CC=C2)C(=O)C)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C(=O)OC(C)CC2=CC=CC=C2)C(=O)C)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C27H26N4O4/c1-4-31-26(33)24(29-22-16-28-15-20-12-8-9-13-21(20)22)23(18(3)32)25(30-31)27(34)35-17(2)14-19-10-6-5-7-11-19/h5-13,15-17,29H,4,14H2,1-3H3