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

Systemtic Name: N-isoquinolin-3-yl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-(3-isoquinolyl)-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-(3-isoquinolinyl)-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-isoquinolin-3-yl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: N-(3-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=CC4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C(F)(F)F)C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

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