1-[(5-bromanyl-2-ethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C21H24BrF3N2O MolecularWeight: 457.32727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C21H24BrF3N2O/c1-2-28-19-9-8-17(22)14-18(19)20(27-12-3-10-26-11-13-27)15-4-6-16(7-5-15)21(23,24)25/h4-9,14,20,26H,2-3,10-13H2,1H3