3-[2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-(4-nicotinoylpiperazino)-8-quinolyl]benzonitrile Formula: C26H21N5O MolecularWeight: 419.47784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C26H21N5O/c27-17-19-4-1-6-21(16-19)23-8-2-5-20-9-10-24(29-25(20)23)30-12-14-31(15-13-30)26(32)22-7-3-11-28-18-22/h1-11,16,18H,12-15H2