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

Systemtic Name: 2-ethoxy-4-[(1-ethyl-5-piperidin-4-yl-pyrazol-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-ethoxy-4-[[1-ethyl-5-(4-piperidyl)pyrazol-3-yl]methyl]benzonitrile CAS Name: 2-ethoxy-4-[[1-ethyl-5-(4-piperidinyl)-3-pyrazolyl]methyl]benzonitrile IUPAC Name: 2-ethoxy-4-[(1-ethyl-5-piperidin-4-ylpyrazol-3-yl)methyl]benzonitrile Traditional Name: 2-ethoxy-4-[[1-ethyl-5-(4-piperidyl)pyrazol-3-yl]methyl]benzonitrile Formula: C20H26N4O MolecularWeight: 338.44664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-3-24-19(16-7-9-22-10-8-16)13-18(23-24)11-15-5-6-17(14-21)20(12-15)25-4-2/h5-6,12-13,16,22H,3-4,7-11H2,1-2H3