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

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-N-[4-(trifluoromethyl)phenyl]-4-isoquinolinecarboxamide IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-N-[4-(trifluoromethyl)phenyl]isoquinoline-4-carboxamide Formula: C25H21F3N6O MolecularWeight: 478.46905

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C5=NC=CC=N5

InChI

InChI=1S/C25H21F3N6O/c26-25(27,28)17-6-8-18(9-7-17)32-23(35)21-16-31-22(20-5-2-1-4-19(20)21)33-12-14-34(15-13-33)24-29-10-3-11-30-24/h1-11,16H,12-15H2,(H,32,35)