3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-(2-pyrimidinyl)-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(2-pyrimidyl)piperazino]-8-quinolyl]benzonitrile Formula: C24H20N6 MolecularWeight: 392.4558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C5=NC=CC=N5

InChI

InChI=1S/C24H20N6/c25-17-18-4-1-6-20(16-18)21-7-2-5-19-8-9-22(28-23(19)21)29-12-14-30(15-13-29)24-26-10-3-11-27-24/h1-11,16H,12-15H2