methyl (2S)-4-(3-fluorophenyl)carbonyl-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(3-fluorophenyl)carbonyl-1-pyridin-3-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(3-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-4-[(3-fluorophenyl)-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(3-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-(3-fluorobenzoyl)-1-nicotinoyl-piperazine-2-carboxylic acid methyl ester Formula: C19H18FN3O4 MolecularWeight: 371.362323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H18FN3O4/c1-27-19(26)16-12-22(17(24)13-4-2-6-15(20)10-13)8-9-23(16)18(25)14-5-3-7-21-11-14/h2-7,10-11,16H,8-9,12H2,1H3/t16-/m0/s1