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

Systemtic Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-(cyclopropylmethyl)-4-phenyl-azepane Openeye Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-(cyclopropylmethyl)-4-phenyl-azepane CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-(cyclopropylmethyl)-4-phenylazepane IUPAC Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-(cyclopropylmethyl)-4-phenylazepane Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-1-(cyclopropylmethyl)-4-phenyl-azepane Formula: C26H29F6NO MolecularWeight: 485.504979

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)CC2CC2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCN(C1)CC2CC2)(COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C26H29F6NO/c27-25(28,29)22-13-20(14-23(15-22)26(30,31)32)17-34-18-24(21-5-2-1-3-6-21)9-4-11-33(12-10-24)16-19-7-8-19/h1-3,5-6,13-15,19H,4,7-12,16-18H2