3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]-5-methyl-isoxazole-4-carboxamide Formula: C20H17ClFN5O3 MolecularWeight: 429.832083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C20H17ClFN5O3/c1-11-17(19(26-30-11)18-13(21)3-2-4-14(18)22)20(29)25-12-5-6-15(24-9-12)27-8-7-23-16(28)10-27/h2-6,9H,7-8,10H2,1H3,(H,23,28)(H,25,29)