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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C21H24ClF3N2O2 MolecularWeight: 428.87567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClF3N2O2/c1-28-15-5-7-19(29-2)16(13-15)20(27-10-3-8-26-9-11-27)14-4-6-18(22)17(12-14)21(23,24)25/h4-7,12-13,20,26H,3,8-11H2,1-2H3