[4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(5-fluoranylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(5-fluoranylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(5-fluoro-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-fluoro-2-pyridinyl)-1-piperazinecarboxylic acid [4-[(3,3-dimethylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(3,3-dimethylbutylcarbamoyl)phenyl] 4-(5-fluoropyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-fluoro-2-pyridyl)piperazine-1-carboxylic acid [4-(3,3-dimethylbutylcarbamoyl)phenyl] ester Formula: C23H29FN4O3 MolecularWeight: 428.499763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN4O3/c1-23(2,3)10-11-25-21(29)17-4-7-19(8-5-17)31-22(30)28-14-12-27(13-15-28)20-9-6-18(24)16-26-20/h4-9,16H,10-15H2,1-3H3,(H,25,29)