2-(3-bromanyl-1-adamantyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)acetamide Formula: C20H25BrN4O MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C20H25BrN4O/c1-12-16-4-15(10-22-18(16)25(2)24-12)23-17(26)9-19-5-13-3-14(6-19)8-20(21,7-13)11-19/h4,10,13-14H,3,5-9,11H2,1-2H3,(H,23,26)