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

Systemtic Name: N-[(2S)-1-(2-adamantylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(2-adamantylcarbamoyl)-2-methyl-propyl]-2-fluoro-benzamide CAS Name: N-[(2S)-1-(2-adamantylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(2S)-1-(2-adamantylamino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S)-1-(2-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)NC1C2CC3CC(C2)CC1C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1C2CC3CC(C2)CC1C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H29FN2O2/c1-12(2)19(24-21(26)17-5-3-4-6-18(17)23)22(27)25-20-15-8-13-7-14(10-15)11-16(20)9-13/h3-6,12-16,19-20H,7-11H2,1-2H3,(H,24,26)(H,25,27)/t13?,14?,15?,16?,19-,20?/m0/s1