ethyl 4-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-chloro-3-fluoro-phenyl)methyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[1-[(4-chloro-3-fluorophenyl)methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-chloro-3-fluoro-benzyl)-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27ClFN3O2 MolecularWeight: 383.887983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C19H27ClFN3O2/c1-2-26-19(25)24-10-8-23(9-11-24)16-4-3-7-22(14-16)13-15-5-6-17(20)18(21)12-15/h5-6,12,16H,2-4,7-11,13-14H2,1H3