6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline

Systemtic Name: 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline Openeye Name: 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline CAS Name: 6-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butoxy]quinoline IUPAC Name: 6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]quinoline Traditional Name: 6-[4-[4-(2-pyrimidyl)piperazino]butoxy]quinoline Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC3=C(C=C2)N=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC3=C(C=C2)N=CC=C3)C4=NC=CC=N4

InChI

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