ethyl 1-[3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(2-chloro-5-fluoro-pyrimidin-4-yl)amino]benzoyl]isonipecotic acid ethyl ester Formula: C19H20ClFN4O3 MolecularWeight: 406.838503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3F)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3F)Cl

InChI

InChI=1S/C19H20ClFN4O3/c1-2-28-18(27)12-6-8-25(9-7-12)17(26)13-4-3-5-14(10-13)23-16-15(21)11-22-19(20)24-16/h3-5,10-12H,2,6-9H2,1H3,(H,22,23,24)