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

Systemtic Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(3-methylphenyl)-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(3-methylphenyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)-2-(m-tolyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32N4O5/c1-18-6-5-7-21(14-18)32-25(19-10-12-31(13-11-19)27(34)37-28(2,3)4)22(16-29-32)26(33)30-20-8-9-23-24(15-20)36-17-35-23/h5-9,14-16,19H,10-13,17H2,1-4H3,(H,30,33)