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

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC4=C(C=C3)OCCCO4)C(=O)O

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC4=C(C=C3)OCCCO4)C(=O)O

InChI

InChI=1S/C19H19N3O4/c1-11(2)22-18-14(10-20-22)13(19(23)24)9-15(21-18)12-4-5-16-17(8-12)26-7-3-6-25-16/h4-5,8-11H,3,6-7H2,1-2H3,(H,23,24)