1-[(5-bromanyl-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-[3-(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=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

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

InChI

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