1-[(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C26H27F3N2O MolecularWeight: 440.50059

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27F3N2O/c27-26(28,29)23-11-7-21(8-12-23)25(31-17-4-15-30-16-18-31)22-9-13-24(14-10-22)32-19-20-5-2-1-3-6-20/h1-3,5-14,25,30H,4,15-19H2