5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline

Systemtic Name: 5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline Openeye Name: 5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline CAS Name: 5-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]quinoline IUPAC Name: 5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline Traditional Name: 5-[4-[4-(2-pyrimidyl)piperazino]butoxy]quinoline Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC=CC3=C2C=CC=N3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC=CC3=C2C=CC=N3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O/c1(2-17-27-20-8-3-7-19-18(20)6-4-9-22-19)12-25-13-15-26(16-14-25)21-23-10-5-11-24-21/h3-11H,1-2,12-17H2