N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-fluoranyl-N-propan-2-yl-benzamide

Systemtic Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-fluoranyl-N-propan-2-yl-benzamide Openeye Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-fluoro-N-isopropyl-benzamide CAS Name: N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-3-fluoro-N-propan-2-ylbenzamide IUPAC Name: N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-fluoro-N-propan-2-ylbenzamide Traditional Name: N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-3-fluoro-N-isopropyl-benzamide Formula: C24H32FN3O2 MolecularWeight: 413.528183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C(C)C)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C(C)C)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C24H32FN3O2/c1-16(2)12-23(29)26-21-10-11-22(27(5)6)19(14-21)15-28(17(3)4)24(30)18-8-7-9-20(25)13-18/h7-11,13-14,16-17H,12,15H2,1-6H3,(H,26,29)