phenylcarbamoyl 2-pyrazol-1-yl-3,5-bis(trifluoromethyl)piperidine-1-carboxylate

Systemtic Name: phenylcarbamoyl 2-pyrazol-1-yl-3,5-bis(trifluoromethyl)piperidine-1-carboxylate Openeye Name: phenylcarbamoyl 2-pyrazol-1-yl-3,5-bis(trifluoromethyl)piperidine-1-carboxylate CAS Name: 2-(1-pyrazolyl)-3,5-bis(trifluoromethyl)-1-piperidinecarboxylic acid [anilino(oxo)methyl] ester IUPAC Name: phenylcarbamoyl 2-pyrazol-1-yl-3,5-bis(trifluoromethyl)piperidine-1-carboxylate Traditional Name: 2-pyrazol-1-yl-3,5-bis(trifluoromethyl)piperidine-1-carboxylic acid phenylcarbamoyl ester Formula: C18H16F6N4O3 MolecularWeight: 450.335059

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(C1C(F)(F)F)N2C=CC=N2)C(=O)OC(=O)NC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1C(CN(C(C1C(F)(F)F)N2C=CC=N2)C(=O)OC(=O)NC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H16F6N4O3/c19-17(20,21)11-9-13(18(22,23)24)14(28-8-4-7-25-28)27(10-11)16(30)31-15(29)26-12-5-2-1-3-6-12/h1-8,11,13-14H,9-10H2,(H,26,29)