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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C20H22BrF3N2O MolecularWeight: 443.30069

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C20H22BrF3N2O/c1-27-18-8-7-14(21)13-16(18)19(26-11-4-9-25-10-12-26)15-5-2-3-6-17(15)20(22,23)24/h2-3,5-8,13,19,25H,4,9-12H2,1H3