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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-phenoxy-2-propanol IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-phenoxy-propan-2-ol Formula: C20H23ClF3N3O2 MolecularWeight: 429.86373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC(COC3=CC=CC=C3)O

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C20H23ClF3N3O2/c21-18-11-15(20(22,23)24)12-25-19(18)27-8-4-7-26(9-10-27)13-16(28)14-29-17-5-2-1-3-6-17/h1-3,5-6,11-12,16,28H,4,7-10,13-14H2