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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCCN(CC1=C(C=CC(=C1)NC(=O)CC(C)C)N(C)C)C(=O)C2=CC(=CC=C2)F

InChI

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