6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC4=C(C=C3)OCCCO4)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC4=C(C=C3)OCCCO4)C(=O)O)C

InChI

InChI=1S/C18H17N3O4/c1-10-16-12(18(22)23)9-13(19-17(16)21(2)20-10)11-4-5-14-15(8-11)25-7-3-6-24-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,22,23)