(4-bromophenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: (4-bromophenyl)methyl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid (4-bromobenzyl) ester Formula: C23H19BrN4O3 MolecularWeight: 479.32596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OCC2=CC=C(C=C2)Br)NC3=CN=CC4=CC=CC=C43

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OCC2=CC=C(C=C2)Br)NC3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C23H19BrN4O3/c1-2-28-22(29)19(26-21-13-25-12-16-5-3-4-6-18(16)21)11-20(27-28)23(30)31-14-15-7-9-17(24)10-8-15/h3-13,26H,2,14H2,1H3