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

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-cyclopentyl-4-phenyl-azepane Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-cyclopentyl-4-phenyl-azepane CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-cyclopentyl-4-phenylazepane IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-cyclopentyl-4-phenylazepane Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-1-cyclopentyl-4-phenyl-azepane Formula: C27H31F6NO MolecularWeight: 499.531559

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCCC(CC2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N2CCCC(CC2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C27H31F6NO/c28-26(29,30)22-15-20(16-23(17-22)27(31,32)33)18-35-19-25(21-7-2-1-3-8-21)11-6-13-34(14-12-25)24-9-4-5-10-24/h1-3,7-8,15-17,24H,4-6,9-14,18-19H2