(phenylmethyl) 4-carbonochloridoyl-3-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-carbonochloridoyl-3-(4-fluoranyl-2-methyl-phenyl)piperazine-1-carboxylate Openeye Name: benzyl 4-chlorocarbonyl-3-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylate CAS Name: 4-carbonochloridoyl-3-(4-fluoro-2-methylphenyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-carbonochloridoyl-3-(4-fluoro-2-methylphenyl)piperazine-1-carboxylate Traditional Name: 4-chlorocarbonyl-3-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid benzyl ester Formula: C20H20ClFN2O3 MolecularWeight: 390.835803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CN(CCN2C(=O)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CN(CCN2C(=O)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClFN2O3/c1-14-11-16(22)7-8-17(14)18-12-23(9-10-24(18)19(21)25)20(26)27-13-15-5-3-2-4-6-15/h2-8,11,18H,9-10,12-13H2,1H3