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

Systemtic Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-(2-chlorophenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-(2-chlorophenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2-chlorophenyl)-4-(piperonylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H31ClN4O5 MolecularWeight: 539.02254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31ClN4O5/c1-28(2,3)38-27(35)32-12-10-19(11-13-32)25-20(16-31-33(25)22-7-5-4-6-21(22)29)26(34)30-15-18-8-9-23-24(14-18)37-17-36-23/h4-9,14,16,19H,10-13,15,17H2,1-3H3,(H,30,34)