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

Systemtic Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-(2,4-dimethylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2,4-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=CC(=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5CCN(CC5)C(=O)OC(C)(C)C)C

Isomeric SMILES

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

InChI

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