[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H24N4O3/c1-12-15-10-14(11-19-16(15)21(3)20-12)18(24)25-13(2)17(23)22-8-6-4-5-7-9-22/h10-11,13H,4-9H2,1-3H3