1-[(2-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(2-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(2-benzoxyphenyl)-[2-(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=CC=C2C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

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