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

Systemtic Name: octyl 4-ethanoyl-1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=NN(C(=O)C(=C1C(=O)C)NC2=CN=CC3=CC=CC=C32)CC

Isomeric SMILES

CCCCCCCCOC(=O)C1=NN(C(=O)C(=C1C(=O)C)NC2=CN=CC3=CC=CC=C32)CC

InChI

InChI=1S/C26H32N4O4/c1-4-6-7-8-9-12-15-34-26(33)24-22(18(3)31)23(25(32)30(5-2)29-24)28-21-17-27-16-19-13-10-11-14-20(19)21/h10-11,13-14,16-17,28H,4-9,12,15H2,1-3H3