(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepane

Systemtic Name: (4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepane Openeye Name: (4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepane CAS Name: (4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane IUPAC Name: (4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane Traditional Name: (4R)-4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-4-phenyl-azepane Formula: C22H23F6NO MolecularWeight: 431.414539

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1C[C@](CCNC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C22H23F6NO/c23-21(24,25)18-11-16(12-19(13-18)22(26,27)28)14-30-15-20(7-4-9-29-10-8-20)17-5-2-1-3-6-17/h1-3,5-6,11-13,29H,4,7-10,14-15H2/t20-/m0/s1