1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepane

Systemtic Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepane Openeye Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepane CAS Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane IUPAC Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane Traditional Name: 1-[[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(CCN(C1)COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1CC(CCN(C1)COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

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