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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(4-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-fluorophenyl)methyl]-1,4-diazepane Formula: C19H19ClF4N2 MolecularWeight: 386.814173

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)F)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H19ClF4N2/c20-17-7-4-14(12-16(17)19(22,23)24)18(13-2-5-15(21)6-3-13)26-10-1-8-25-9-11-26/h2-7,12,18,25H,1,8-11H2