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

Systemtic Name: 4-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)propyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazino]methyl]benzonitrile Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O/c1-16-20(17(2)24(3)23-16)8-9-21(27)26-12-10-25(11-13-26)15-19-6-4-18(14-22)5-7-19/h4-7H,8-13,15H2,1-3H3