7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline

Systemtic Name: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline Openeye Name: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline CAS Name: 7-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]isoquinoline IUPAC Name: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]isoquinoline Traditional Name: 7-[3-[4-(2-pyrimidyl)piperazino]propoxy]isoquinoline Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CN=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CN=C3)C4=NC=CC=N4

InChI

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