tert-butyl 4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[(1-phenyl-4-pyrazolyl)methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(1-phenylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)28-20(27)24-11-9-17(10-12-24)19(26)22-13-16-14-23-25(15-16)18-7-5-4-6-8-18/h4-8,14-15,17H,9-13H2,1-3H3,(H,22,26)