1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(2-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(=CC=C2)C(F)(F)F)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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