benzenecarbonitrile; (4-piperidin-4-ylpiperazin-1-yl) 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: benzenecarbonitrile; (4-piperidin-4-ylpiperazin-1-yl) 2,2,2-tris(fluoranyl)ethanoate Openeye Name: benzonitrile; [4-(4-piperidyl)piperazin-1-yl] 2,2,2-trifluoroacetate CAS Name: benzonitrile; 2,2,2-trifluoroacetic acid [4-(4-piperidinyl)-1-piperazinyl] ester IUPAC Name: benzonitrile; (4-piperidin-4-ylpiperazin-1-yl) 2,2,2-trifluoroacetate Traditional Name: benzonitrile; 2,2,2-trifluoroacetic acid [4-(4-piperidyl)piperazino] ester Formula: C18H23F3N4O2 MolecularWeight: 384.39603

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCN(CC2)OC(=O)C(F)(F)F.C1=CC=C(C=C1)C#N

Isomeric SMILES

C1CNCCC1N2CCN(CC2)OC(=O)C(F)(F)F.C1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H18F3N3O2.C7H5N/c12-11(13,14)10(18)19-17-7-5-16(6-8-17)9-1-3-15-4-2-9;8-6-7-4-2-1-3-5-7/h9,15H,1-8H2;1-5H