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

Systemtic Name: 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzonitrile CAS Name: 4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzonitrile Traditional Name: 4-[3-[4-(2-pyrimidyl)piperazino]propoxy]benzonitrile Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=C(C=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C18H21N5O/c19-15-16-3-5-17(6-4-16)24-14-2-9-22-10-12-23(13-11-22)18-20-7-1-8-21-18/h1,3-8H,2,9-14H2