2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-1-(3-chlorophenyl)ethanol

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-1-(3-chlorophenyl)ethanol Openeye Name: 1-(3-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]ethanol CAS Name: 1-(3-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanol IUPAC Name: 1-(3-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]ethanol Traditional Name: 1-(3-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]ethanol Formula: C19H20Cl2F3N3O MolecularWeight: 434.28281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C19H20Cl2F3N3O/c20-15-4-1-3-13(9-15)17(28)12-26-5-2-6-27(8-7-26)18-16(21)10-14(11-25-18)19(22,23)24/h1,3-4,9-11,17,28H,2,5-8,12H2