ethyl 4-[[6-azanyl-5-(4-chloranyl-5-fluoranyl-2-methoxy-phenyl)carbonyl-pyridin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[6-azanyl-5-(4-chloranyl-5-fluoranyl-2-methoxy-phenyl)carbonyl-pyridin-2-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-amino-5-(4-chloro-5-fluoro-2-methoxy-benzoyl)-2-pyridyl]amino]piperidine-1-carboxylate CAS Name: 4-[[6-amino-5-[(4-chloro-5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyridinyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[6-amino-5-(4-chloro-5-fluoro-2-methoxybenzoyl)pyridin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-amino-5-(4-chloro-5-fluoro-2-methoxy-benzoyl)-2-pyridyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H24ClFN4O4 MolecularWeight: 450.891063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC2=NC(=C(C=C2)C(=O)C3=CC(=C(C=C3OC)Cl)F)N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC2=NC(=C(C=C2)C(=O)C3=CC(=C(C=C3OC)Cl)F)N

InChI

InChI=1S/C21H24ClFN4O4/c1-3-31-21(29)27-8-6-12(7-9-27)25-18-5-4-13(20(24)26-18)19(28)14-10-16(23)15(22)11-17(14)30-2/h4-5,10-12H,3,6-9H2,1-2H3,(H3,24,25,26)