8-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]isoquinolin-7-ol

Systemtic Name: 8-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]isoquinolin-7-ol Formula: C20H18ClF3N4O MolecularWeight: 422.83133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC3=C2C=NC=C3)O)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC3=C2C=NC=C3)O)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N4O/c21-17-9-14(20(22,23)24)10-26-19(17)28-7-5-27(6-8-28)12-16-15-11-25-4-3-13(15)1-2-18(16)29/h1-4,9-11,29H,5-8,12H2