tert-butyl 4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)28-20(25)24-10-8-14(9-11-24)17-13-18(23-22-17)16-12-15(26-4)6-7-19(16)27-5/h6-7,12-14H,8-11H2,1-5H3,(H,22,23)