1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-[3-(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)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

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