5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline

Systemtic Name: 5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline Openeye Name: 5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline CAS Name: 5-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]isoquinoline IUPAC Name: 5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline Traditional Name: 5-[3-[4-(2-pyrimidyl)piperazino]propoxy]isoquinoline Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC3=C2C=CN=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC3=C2C=CN=C3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N5O/c1-4-17-16-21-9-6-18(17)19(5-1)26-15-3-10-24-11-13-25(14-12-24)20-22-7-2-8-23-20/h1-2,4-9,16H,3,10-15H2