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

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(phenylmethyl)azepane Openeye Name: 1-benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-azepane CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(phenylmethyl)azepane IUPAC Name: 1-benzyl-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane Traditional Name: 1-benzyl-4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-4-phenyl-azepane Formula: C29H29F6NO MolecularWeight: 521.537079

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2=CC=CC=C2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)CC2=CC=CC=C2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C29H29F6NO/c30-28(31,32)25-16-23(17-26(18-25)29(33,34)35)20-37-21-27(24-10-5-2-6-11-24)12-7-14-36(15-13-27)19-22-8-3-1-4-9-22/h1-6,8-11,16-18H,7,12-15,19-21H2