4-[[4-(1-tert-butyl-5-methyl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-tert-butyl-5-methyl-pyrazol-4-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-tert-butyl-5-methyl-pyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1-tert-butyl-5-methyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-tert-butyl-5-methyl-pyrazole-4-carbonyl)piperazino]methyl]benzonitrile Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O/c1-16-19(14-23-26(16)21(2,3)4)20(27)25-11-9-24(10-12-25)15-18-7-5-17(13-22)6-8-18/h5-8,14H,9-12,15H2,1-4H3