N-(2-azanylcyclohexyl)-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-fluoranyl-benzamide Openeye Name: N-(2-aminocyclohexyl)-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-fluoro-benzamide CAS Name: N-(2-aminocyclohexyl)-N-[[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]-3-fluorobenzamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-fluorobenzamide Traditional Name: N-(2-aminocyclohexyl)-N-[3-(3,3-dimethylbutanoylamino)benzyl]-3-fluoro-benzamide Formula: C26H34FN3O2 MolecularWeight: 439.565463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=CC(=C1)CN(C2CCCCC2N)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=CC(=C1)CN(C2CCCCC2N)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C26H34FN3O2/c1-26(2,3)16-24(31)29-21-11-6-8-18(14-21)17-30(23-13-5-4-12-22(23)28)25(32)19-9-7-10-20(27)15-19/h6-11,14-15,22-23H,4-5,12-13,16-17,28H2,1-3H3,(H,29,31)