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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C28H31F3N2O2 MolecularWeight: 484.55315

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31F3N2O2/c1-2-34-26-19-22(13-14-25(26)35-20-21-9-4-3-5-10-21)27(33-17-8-15-32-16-18-33)23-11-6-7-12-24(23)28(29,30)31/h3-7,9-14,19,27,32H,2,8,15-18,20H2,1H3