tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(2,6-dimethylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)OCO4)C5CCN(CC5)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)NC3=CC4=C(C=C3)OCO4)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H34N4O5/c1-18-7-6-8-19(2)25(18)33-26(20-11-13-32(14-12-20)28(35)38-29(3,4)5)22(16-30-33)27(34)31-21-9-10-23-24(15-21)37-17-36-23/h6-10,15-16,20H,11-14,17H2,1-5H3,(H,31,34)