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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-propargyloxy-propan-2-ol Formula: C17H21ClF3N3O2 MolecularWeight: 391.81575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CN1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)O

Isomeric SMILES

C#CCOCC(CN1CCCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)O

InChI

InChI=1S/C17H21ClF3N3O2/c1-2-8-26-12-14(25)11-23-4-3-5-24(7-6-23)16-15(18)9-13(10-22-16)17(19,20)21/h1,9-10,14,25H,3-8,11-12H2