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

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

Isomeric SMILES

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

InChI

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