2-(3-bromanyl-1-adamantyl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[2-(3-fluoroanilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C21H26BrFN2O2 MolecularWeight: 437.345743

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H26BrFN2O2/c1-25(12-18(26)24-17-4-2-3-16(23)6-17)19(27)11-20-7-14-5-15(8-20)10-21(22,9-14)13-20/h2-4,6,14-15H,5,7-13H2,1H3,(H,24,26)