tert-butyl (3S)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)[C@H]3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H34N4O3/c1-17-21(18(2)28(26-17)15-19-10-7-6-8-11-19)14-25-22(29)20-12-9-13-27(16-20)23(30)31-24(3,4)5/h6-8,10-11,20H,9,12-16H2,1-5H3,(H,25,29)/t20-/m0/s1