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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-[3-(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=C2)C(F)(F)F)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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