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

Systemtic Name: 4-[(1-ethyl-5-piperidin-4-yl-pyrazol-3-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[1-ethyl-5-(4-piperidyl)pyrazol-3-yl]methyl]benzonitrile CAS Name: 4-[[1-ethyl-5-(4-piperidinyl)-3-pyrazolyl]methyl]benzonitrile IUPAC Name: 4-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile Traditional Name: 4-[[1-ethyl-5-(4-piperidyl)pyrazol-3-yl]methyl]benzonitrile Formula: C18H22N4 MolecularWeight: 294.39408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4/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