1-(6-chloranylpyridazin-3-yl)-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1-(6-chloropyridazin-3-yl)-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1-(6-chloro-3-pyridazinyl)-4-(3-methoxy-4-prop-2-ynoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1-(6-chloropyridazin-3-yl)-4-(3-methoxy-4-prop-2-ynoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-(6-chloropyridazin-3-yl)-4-(3-methoxy-4-propargyloxy-phenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(=O)N=C2N(N1)C3=NN=C(C=C3)Cl)C4=CC(=C(C=C4)OCC#C)OC

Isomeric SMILES

CC1=C2C(CC(=O)N=C2N(N1)C3=NN=C(C=C3)Cl)C4=CC(=C(C=C4)OCC#C)OC

InChI

InChI=1S/C21H18ClN5O3/c1-4-9-30-15-6-5-13(10-16(15)29-3)14-11-19(28)23-21-20(14)12(2)26-27(21)18-8-7-17(22)24-25-18/h1,5-8,10,14,26H,9,11H2,2-3H3