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

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(3-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=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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