[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O4/c1-14(2)26-18(7-10-23-26)24-19(27)13-30-21(29)16-8-11-25(12-9-16)20(28)15-3-5-17(22)6-4-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3,(H,24,27)