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

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-phenylmethoxy-propan-2-ol Openeye Name: 1-benzyloxy-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-2-ol CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-3-phenylmethoxy-2-propanol IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]-3-phenylmethoxypropan-2-ol Traditional Name: 1-benzoxy-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-2-ol Formula: C21H25ClF3N3O2 MolecularWeight: 443.89031

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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=CC=C3)O

Isomeric SMILES

C1CN(CCN(C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC(COCC3=CC=CC=C3)O

InChI

InChI=1S/C21H25ClF3N3O2/c22-19-11-17(21(23,24)25)12-26-20(19)28-8-4-7-27(9-10-28)13-18(29)15-30-14-16-5-2-1-3-6-16/h1-3,5-6,11-12,18,29H,4,7-10,13-15H2