1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methyl]-1,4-diazepane Formula: C20H22ClF3N2O MolecularWeight: 398.84969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClF3N2O/c1-27-16-5-2-4-14(12-16)19(26-10-3-8-25-9-11-26)15-6-7-18(21)17(13-15)20(22,23)24/h2,4-7,12-13,19,25H,3,8-11H2,1H3