N-[1-(1-adamantylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-(1-adamantylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[1-(1-adamantylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[1-(1-adamantylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[1-(1-adamantylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[1-(1-adamantylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide Formula: C22H29FN2O2 MolecularWeight: 372.476263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)C(C(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H29FN2O2/c1-13(2)19(24-20(26)17-5-3-4-6-18(17)23)21(27)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,19H,7-12H2,1-2H3,(H,24,26)(H,25,27)