1-(4-pyridin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide

Systemtic Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Openeye Name: 1-[4-(2-pyridyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide CAS Name: 1-[4-(2-pyridinyl)-1-piperazinyl]-N-[2-(trifluoromethyl)phenyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(4-pyridin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Traditional Name: 1-[4-(2-pyridyl)piperazino]-N-[2-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Formula: C26H22F3N5O MolecularWeight: 477.48099

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C26H22F3N5O/c27-26(28,29)21-9-3-4-10-22(21)32-25(35)20-17-31-24(19-8-2-1-7-18(19)20)34-15-13-33(14-16-34)23-11-5-6-12-30-23/h1-12,17H,13-16H2,(H,32,35)