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

Systemtic Name: N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-fluoranyl-N-propyl-benzamide Openeye Name: N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-fluoro-N-propyl-benzamide CAS Name: N-[[2-(dimethylamino)-5-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]-3-fluoro-N-propylbenzamide IUPAC Name: N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-fluoro-N-propylbenzamide Traditional Name: N-[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)benzyl]-3-fluoro-N-propyl-benzamide Formula: C25H34FN3O2 MolecularWeight: 427.554763

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H34FN3O2/c1-7-13-29(24(31)18-9-8-10-20(26)14-18)17-19-15-21(11-12-22(19)28(5)6)27-23(30)16-25(2,3)4/h8-12,14-15H,7,13,16-17H2,1-6H3,(H,27,30)