1-phenethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidine-4-carboxamide hydrate dihydrochloride

Systemtic Name: 1-phenethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidine-4-carboxamide hydrate dihydrochloride Openeye Name: 1-phenethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidine-4-carboxamide hydrate dihydrochloride CAS Name: 1-phenethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-piperidinecarboxamide hydrate dihydrochloride IUPAC Name: 1-phenethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidine-4-carboxamide hydrate dihydrochloride Traditional Name: 1-phenethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)isonipecotamide hydrate dihydrochloride Formula: C20H27Cl2N5O2 MolecularWeight: 440.36668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C3C=NNC3=NC=C2)CCC4=CC=CC=C4.O.Cl.Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C3C=NNC3=NC=C2)CCC4=CC=CC=C4.O.Cl.Cl

InChI

InChI=1S/C20H23N5O.2ClH.H2O/c26-20(23-18-6-10-21-19-17(18)14-22-24-19)16-8-12-25(13-9-16)11-7-15-4-2-1-3-5-15;;;/h1-6,10,14,16H,7-9,11-13H2,(H2,21,22,23,24,26);2*1H;1H2