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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-(2-furylmethoxy)propan-2-ol CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-(2-furanylmethoxy)-2-propanol IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]-3-(2-furfuryloxy)propan-2-ol Formula: C19H23ClF3N3O3 MolecularWeight: 433.85243

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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(COCC3=CC=CO3)O

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC(COCC3=CC=CO3)O

InChI

InChI=1S/C19H23ClF3N3O3/c20-17-9-14(19(21,22)23)10-24-18(17)26-5-2-4-25(6-7-26)11-15(27)12-28-13-16-3-1-8-29-16/h1,3,8-10,15,27H,2,4-7,11-13H2