3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-2-fluoranyl-benzamide

Systemtic Name: 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-2-fluoranyl-benzamide Openeye Name: 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-2-fluoro-benzamide CAS Name: 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-2-fluorobenzamide IUPAC Name: 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-2-fluorobenzamide Traditional Name: 3-[4-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-2-fluoro-benzamide Formula: C22H27FN2O MolecularWeight: 354.460983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)NCC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)N)F)C

Isomeric SMILES

CC1(CCC(CC1)NCC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)N)F)C

InChI

InChI=1S/C22H27FN2O/c1-22(2)12-10-17(11-13-22)25-14-15-6-8-16(9-7-15)18-4-3-5-19(20(18)23)21(24)26/h3-9,17,25H,10-14H2,1-2H3,(H2,24,26)