1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-4-phenyl-isonipecotonitrile Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O/c1-20(2,3)18-14-17(24(4)23-18)19(26)25-12-10-21(15-22,11-13-25)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3