[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H25FN4O4/c1-14(21(29)26-12-15-2-5-18(23)6-3-15)31-22(30)16-8-10-27(11-9-16)19-7-4-17(13-25-19)20(24)28/h2-7,13-14,16H,8-12H2,1H3,(H2,24,28)(H,26,29)