N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-1-benzyl-pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-benzylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-1-benzyl-pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4)CC(=O)N

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4)CC(=O)N

InChI

InChI=1S/C21H24N6O2/c22-19(28)14-26-8-6-18(7-9-26)25-21(29)17-10-16-12-24-27(20(16)23-11-17)13-15-4-2-1-3-5-15/h1-5,10-12,18H,6-9,13-14H2,(H2,22,28)(H,25,29)