6-[(4R)-3-methyl-6-oxidanylidene-4-(4-propoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate

Systemtic Name: 6-[(4R)-3-methyl-6-oxidanylidene-4-(4-propoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4R)-3-methyl-6-oxo-4-(4-propoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4R)-3-methyl-6-oxo-4-(4-propoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4R)-3-methyl-6-oxo-4-(4-propoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4R)-6-keto-3-methyl-4-(4-propoxyphenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C20H20N5O3- MolecularWeight: 378.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2CC(=O)N=C3C2=C(NN3C4=NN=C(C=C4)[O-])C

InChI

InChI=1S/C20H21N5O3/c1-3-10-28-14-6-4-13(5-7-14)15-11-18(27)21-20-19(15)12(2)24-25(20)16-8-9-17(26)23-22-16/h4-9,15,24H,3,10-11H2,1-2H3,(H,23,26)/p-1/t15-/m1/s1