3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]quinoline

Systemtic Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]quinoline Openeye Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]quinoline CAS Name: 3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]quinoline IUPAC Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]quinoline Traditional Name: 3-[4-[4-(2-pyrimidyl)piperazino]butyl]quinoline Formula: C21H25N5 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC3=CC=CC=C3N=C2)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCC2=CC3=CC=CC=C3N=C2)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5/c1-2-8-20-19(7-1)16-18(17-24-20)6-3-4-11-25-12-14-26(15-13-25)21-22-9-5-10-23-21/h1-2,5,7-10,16-17H,3-4,6,11-15H2