[2-(dimethylamino)-2-oxidanylidene-ethyl] 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCC(=O)N(C)C)NC2=CN=CC3=CC=CC=C32

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCC(=O)N(C)C)NC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C20H21N5O4/c1-4-25-19(27)15(9-16(23-25)20(28)29-12-18(26)24(2)3)22-17-11-21-10-13-7-5-6-8-14(13)17/h5-11,22H,4,12H2,1-3H3