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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C20H21Cl2F3N2O MolecularWeight: 433.29475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2F3N2O/c1-28-18-6-4-14(21)12-15(18)19(27-9-2-7-26-8-10-27)13-3-5-17(22)16(11-13)20(23,24)25/h3-6,11-12,19,26H,2,7-10H2,1H3