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

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-fluoro-benzamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-3-fluorobenzamide Traditional Name: N-cyclopropyl-N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]-3-fluoro-benzamide Formula: C24H30FN3O2 MolecularWeight: 411.512303

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(C2CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C2CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C24H30FN3O2/c1-16(2)12-23(29)26-20-8-11-22(27(3)4)18(14-20)15-28(21-9-10-21)24(30)17-6-5-7-19(25)13-17/h5-8,11,13-14,16,21H,9-10,12,15H2,1-4H3,(H,26,29)