N-(2-adamantyl)-2-chloranyl-4,5-bis(fluoranyl)cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: N-(2-adamantyl)-2-chloranyl-4,5-bis(fluoranyl)cyclohexa-1,4-diene-1-carboxamide Openeye Name: N-(2-adamantyl)-2-chloro-4,5-difluoro-cyclohexa-1,4-diene-1-carboxamide CAS Name: N-(2-adamantyl)-2-chloro-4,5-difluoro-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: N-(2-adamantyl)-2-chloro-4,5-difluorocyclohexa-1,4-diene-1-carboxamide Traditional Name: N-(2-adamantyl)-2-chloro-4,5-difluoro-cyclohexa-1,4-diene-1-carboxamide Formula: C17H20ClF2NO MolecularWeight: 327.796606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(CC(=C(C4)F)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=C(CC(=C(C4)F)F)Cl

InChI

InChI=1S/C17H20ClF2NO/c18-13-7-15(20)14(19)6-12(13)17(22)21-16-10-2-8-1-9(4-10)5-11(16)3-8/h8-11,16H,1-7H2,(H,21,22)