tert-butyl (2S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylcarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O3/c1-15-18(16(2)26(24-15)17-10-7-6-8-11-17)14-23-20(27)19-12-9-13-25(19)21(28)29-22(3,4)5/h6-8,10-11,19H,9,12-14H2,1-5H3,(H,23,27)/t19-/m0/s1