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

Systemtic Name: 6-[(4R)-4-(3-methoxy-4-propoxy-phenyl)-3-methyl-6-oxidanylidene-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Openeye Name: 6-[(4R)-4-(3-methoxy-4-propoxy-phenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate CAS Name: 6-[(4R)-4-(3-methoxy-4-propoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]-3-pyridazinolate IUPAC Name: 6-[(4R)-4-(3-methoxy-4-propoxyphenyl)-3-methyl-6-oxo-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Traditional Name: 6-[(4R)-6-keto-4-(3-methoxy-4-propoxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-1-yl]pyridazin-3-olate Formula: C21H22N5O4- MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-4-9-30-15-6-5-13(10-16(15)29-3)14-11-19(28)22-21-20(14)12(2)25-26(21)17-7-8-18(27)24-23-17/h5-8,10,14,25H,4,9,11H2,1-3H3,(H,24,27)/p-1/t14-/m1/s1