(4-pyrazin-2-ylpiperazin-1-yl)-[3-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]methanone

Systemtic Name: (4-pyrazin-2-ylpiperazin-1-yl)-[3-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]methanone Openeye Name: (4-pyrazin-2-ylpiperazin-1-yl)-[3-[2-(2-pyridyl)ethynyl]-4-(trifluoromethyl)phenyl]methanone CAS Name: [4-(2-pyrazinyl)-1-piperazinyl]-[3-[2-(2-pyridinyl)ethynyl]-4-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-pyrazin-2-ylpiperazin-1-yl)-[3-(2-pyridin-2-ylethynyl)-4-(trifluoromethyl)phenyl]methanone Traditional Name: (4-pyrazin-2-ylpiperazino)-[3-[2-(2-pyridyl)ethynyl]-4-(trifluoromethyl)phenyl]methanone Formula: C23H18F3N5O MolecularWeight: 437.41713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=O)C3=CC(=C(C=C3)C(F)(F)F)C#CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=O)C3=CC(=C(C=C3)C(F)(F)F)C#CC4=CC=CC=N4

InChI

InChI=1S/C23H18F3N5O/c24-23(25,26)20-7-5-18(15-17(20)4-6-19-3-1-2-8-28-19)22(32)31-13-11-30(12-14-31)21-16-27-9-10-29-21/h1-3,5,7-10,15-16H,11-14H2