tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-(3,5-dimethyl-1-pyrazolyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

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