4-[(1-ethyl-5-piperidin-4-yl-pyrazol-3-yl)methyl]benzenecarbonitrile dihydrochloride

Systemtic Name: 4-[(1-ethyl-5-piperidin-4-yl-pyrazol-3-yl)methyl]benzenecarbonitrile dihydrochloride Openeye Name: 4-[[1-ethyl-5-(4-piperidyl)pyrazol-3-yl]methyl]benzonitrile dihydrochloride CAS Name: 4-[[1-ethyl-5-(4-piperidinyl)-3-pyrazolyl]methyl]benzonitrile dihydrochloride IUPAC Name: 4-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile dihydrochloride Traditional Name: 4-[[1-ethyl-5-(4-piperidyl)pyrazol-3-yl]methyl]benzonitrile dihydrochloride Formula: C18H24Cl2N4 MolecularWeight: 367.31596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)CC2=CC=C(C=C2)C#N)C3CCNCC3.Cl.Cl

Isomeric SMILES

CCN1C(=CC(=N1)CC2=CC=C(C=C2)C#N)C3CCNCC3.Cl.Cl

InChI

InChI=1S/C18H22N4.2ClH/c1-2-22-18(16-7-9-20-10-8-16)12-17(21-22)11-14-3-5-15(13-19)6-4-14;;/h3-6,12,16,20H,2,7-11H2,1H3;2*1H