4-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazino]methyl]benzonitrile Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H25N5O/c1-15-19(16(2)23(3)22-15)12-20(26)25-10-8-24(9-11-25)14-18-6-4-17(13-21)5-7-18/h4-7H,8-12,14H2,1-3H3