3-[4-(4-pyridin-2-ylpiperazin-1-yl)but-1-ynyl]quinoline

Systemtic Name: 3-[4-(4-pyridin-2-ylpiperazin-1-yl)but-1-ynyl]quinoline Openeye Name: 3-[4-[4-(2-pyridyl)piperazin-1-yl]but-1-ynyl]quinoline CAS Name: 3-[4-[4-(2-pyridinyl)-1-piperazinyl]but-1-ynyl]quinoline IUPAC Name: 3-[4-(4-pyridin-2-ylpiperazin-1-yl)but-1-ynyl]quinoline Traditional Name: 3-[4-[4-(2-pyridyl)piperazino]but-1-ynyl]quinoline Formula: C22H22N4 MolecularWeight: 342.43688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#CC2=CC3=CC=CC=C3N=C2)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCC#CC2=CC3=CC=CC=C3N=C2)C4=CC=CC=N4

InChI

InChI=1S/C22H22N4/c1-2-9-21-20(8-1)17-19(18-24-21)7-4-6-12-25-13-15-26(16-14-25)22-10-3-5-11-23-22/h1-3,5,8-11,17-18H,6,12-16H2