[4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-(5-fluoranylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-(5-fluoranylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [4-(1,1,3,3-tetramethylbutylcarbamoyl)phenyl] 4-(5-fluoro-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-fluoro-2-pyridinyl)-1-piperazinecarboxylic acid [4-[oxo-(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(2,4,4-trimethylpentan-2-ylcarbamoyl)phenyl] 4-(5-fluoropyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-fluoro-2-pyridyl)piperazine-1-carboxylic acid [4-(1,1,3,3-tetramethylbutylcarbamoyl)phenyl] ester Formula: C25H33FN4O3 MolecularWeight: 456.552923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=NC=C(C=C3)F

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)C1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=NC=C(C=C3)F

InChI

InChI=1S/C25H33FN4O3/c1-24(2,3)17-25(4,5)28-22(31)18-6-9-20(10-7-18)33-23(32)30-14-12-29(13-15-30)21-11-8-19(26)16-27-21/h6-11,16H,12-15,17H2,1-5H3,(H,28,31)