1-butoxy-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-2-ol

Systemtic Name: 1-butoxy-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-2-ol Openeye Name: 1-butoxy-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-butoxy-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-propanol IUPAC Name: 1-butoxy-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]propan-2-ol Traditional Name: 1-butoxy-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-2-ol Formula: C18H27ClF3N3O2 MolecularWeight: 409.87409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CN1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)O

Isomeric SMILES

CCCCOCC(CN1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)O

InChI

InChI=1S/C18H27ClF3N3O2/c1-2-3-9-27-13-15(26)12-24-5-4-6-25(8-7-24)17-16(19)10-14(11-23-17)18(20,21)22/h10-11,15,26H,2-9,12-13H2,1H3