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

Systemtic Name: N-isoquinolin-5-yl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(5-isoquinolyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-(5-isoquinolinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-isoquinolin-5-yl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(5-isoquinolyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C21H19F3N4O MolecularWeight: 400.39697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H19F3N4O/c22-21(23,24)16-4-2-5-17(13-16)27-9-11-28(12-10-27)20(29)26-19-6-1-3-15-14-25-8-7-18(15)19/h1-8,13-14H,9-12H2,(H,26,29)