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

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenyl-azepane Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenyl-azepane CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylazepane IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylazepane Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-1-methyl-4-phenyl-azepane Formula: C23H25F6NO MolecularWeight: 445.441119

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CN1CCCC(CC1)(COCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C23H25F6NO/c1-30-10-5-8-21(9-11-30,18-6-3-2-4-7-18)16-31-15-17-12-19(22(24,25)26)14-20(13-17)23(27,28)29/h2-4,6-7,12-14H,5,8-11,15-16H2,1H3