2,3-dihydro-1H-inden-1-yl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: 2,3-dihydro-1H-inden-1-yl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: indan-1-yl 1-ethyl-5-(4-isoquinolylamino)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-ethyl-5-(4-isoquinolinylamino)-6-oxo-3-pyridazinecarboxylic acid 2,3-dihydro-1H-inden-1-yl ester IUPAC Name: 2,3-dihydro-1H-inden-1-yl 1-ethyl-5-(isoquinolin-4-ylamino)-6-oxopyridazine-3-carboxylate Traditional Name: 1-ethyl-5-(4-isoquinolylamino)-6-keto-pyridazine-3-carboxylic acid indan-1-yl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C(=O)OC2CCC3=CC=CC=C23)NC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C(=O)OC2CCC3=CC=CC=C23)NC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C25H22N4O3/c1-2-29-24(30)20(27-22-15-26-14-17-8-4-5-9-18(17)22)13-21(28-29)25(31)32-23-12-11-16-7-3-6-10-19(16)23/h3-10,13-15,23,27H,2,11-12H2,1H3