tert-butyl N-[[3-[1-(2-ethylpyridin-3-yl)carbonylpiperidin-4-yl]-4-fluoranyl-phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[1-(2-ethylpyridin-3-yl)carbonylpiperidin-4-yl]-4-fluoranyl-phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[1-(2-ethylpyridine-3-carbonyl)-4-piperidyl]-4-fluoro-phenyl]methyl]carbamate CAS Name: N-[[3-[1-[(2-ethyl-3-pyridinyl)-oxomethyl]-4-piperidinyl]-4-fluorophenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[1-(2-ethylpyridine-3-carbonyl)piperidin-4-yl]-4-fluorophenyl]methyl]carbamate Traditional Name: N-[3-[1-(2-ethylnicotinoyl)-4-piperidyl]-4-fluoro-benzyl]carbamic acid tert-butyl ester Formula: C25H32FN3O3 MolecularWeight: 441.538283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=C(C=CC(=C3)CNC(=O)OC(C)(C)C)F

Isomeric SMILES

CCC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=C(C=CC(=C3)CNC(=O)OC(C)(C)C)F

InChI

InChI=1S/C25H32FN3O3/c1-5-22-19(7-6-12-27-22)23(30)29-13-10-18(11-14-29)20-15-17(8-9-21(20)26)16-28-24(31)32-25(2,3)4/h6-9,12,15,18H,5,10-11,13-14,16H2,1-4H3,(H,28,31)