2-(1,3-benzodioxol-5-yl)-1-[2-(4-chloranyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpyrazolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-chloranyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)carbonylpyrazolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-chloro-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[2-[(4-chloro-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[2-(4-chloro-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrazolidin-1-yl]ethanone Formula: C21H20ClN5O4 MolecularWeight: 441.8676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCCN3C(=O)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)N3CCCN3C(=O)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C21H20ClN5O4/c1-12-18-19(22)14(10-23-20(18)25(2)24-12)21(29)27-7-3-6-26(27)17(28)9-13-4-5-15-16(8-13)31-11-30-15/h4-5,8,10H,3,6-7,9,11H2,1-2H3