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

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(3-oxo-1-piperazinyl)phenyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-N-[4-(3-ketopiperazino)phenyl]-5-methyl-isoxazole-4-carboxamide Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN4O3/c1-12-18(20(26-30-12)19-15(22)3-2-4-16(19)23)21(29)25-13-5-7-14(8-6-13)27-10-9-24-17(28)11-27/h2-8H,9-11H2,1H3,(H,24,28)(H,25,29)