N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloranyl-6-fluoranyl-phenyl)-5-hexyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloranyl-6-fluoranyl-phenyl)-5-hexyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluoro-phenyl)-5-hexyl-isoxazole-4-carboxamide CAS Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluorophenyl)-5-hexyl-4-isoxazolecarboxamide IUPAC Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluorophenyl)-5-hexyl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-(benzamidomethyl)cyclohexyl]-3-(2-chloro-6-fluoro-phenyl)-5-hexyl-isoxazole-4-carboxamide Formula: C30H35ClFN3O3 MolecularWeight: 540.068603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCC(C3)CNC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3CCCC(C3)CNC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H35ClFN3O3/c1-2-3-4-8-17-25-27(28(35-38-25)26-23(31)15-10-16-24(26)32)30(37)34-22-14-9-11-20(18-22)19-33-29(36)21-12-6-5-7-13-21/h5-7,10,12-13,15-16,20,22H,2-4,8-9,11,14,17-19H2,1H3,(H,33,36)(H,34,37)