N-isoquinolin-5-yl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-isoquinolin-5-yl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(5-isoquinolyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-(5-isoquinolinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-isoquinolin-5-yl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(5-isoquinolyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide Formula: C20H18F3N5O MolecularWeight: 401.38503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H18F3N5O/c21-20(22,23)16-4-2-7-25-18(16)27-9-11-28(12-10-27)19(29)26-17-5-1-3-14-13-24-8-6-15(14)17/h1-8,13H,9-12H2,(H,26,29)