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

Systemtic Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-(2,6-dimethylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2,6-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,6-dimethylphenyl)-4-(piperonylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H36N4O5 MolecularWeight: 532.63064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=C(C=N2)C(=O)NCC3=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)NCC3=CC4=C(C=C3)OCO4)C5CCN(CC5)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H36N4O5/c1-19-7-6-8-20(2)26(19)34-27(22-11-13-33(14-12-22)29(36)39-30(3,4)5)23(17-32-34)28(35)31-16-21-9-10-24-25(15-21)38-18-37-24/h6-10,15,17,22H,11-14,16,18H2,1-5H3,(H,31,35)