3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[2-pyrrolidino-2-(2-thienyl)ethyl]isoxazole-4-carboxamide Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H21ClFN3O2S/c1-13-18(20(25-28-13)19-14(22)6-4-7-15(19)23)21(27)24-12-16(17-8-5-11-29-17)26-9-2-3-10-26/h4-8,11,16H,2-3,9-10,12H2,1H3,(H,24,27)