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

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4O5/c1-19-6-5-7-22(14-19)33-26(21-10-12-32(13-11-21)28(35)38-29(2,3)4)23(17-31-33)27(34)30-16-20-8-9-24-25(15-20)37-18-36-24/h5-9,14-15,17,21H,10-13,16,18H2,1-4H3,(H,30,34)