N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-fluoranyl-N-propan-2-yl-benzamide

Systemtic Name: N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-fluoranyl-N-propan-2-yl-benzamide Openeye Name: N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-fluoro-N-isopropyl-benzamide CAS Name: N-[[2-(dimethylamino)-5-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]-4-fluoro-N-propan-2-ylbenzamide IUPAC Name: N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-fluoro-N-propan-2-ylbenzamide Traditional Name: N-[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)benzyl]-4-fluoro-N-isopropyl-benzamide Formula: C25H34FN3O2 MolecularWeight: 427.554763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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