2-[1-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[1-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-2-oxo-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[2-keto-1-[6-(4-methylpiperazino)-3-pyridyl]-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C27H24N6O MolecularWeight: 448.51906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)N3C=C(C=C(C3=O)C4=CC=CC=C4C#N)C5=CC=CC=N5

InChI

InChI=1S/C27H24N6O/c1-31-12-14-32(15-13-31)26-10-9-22(18-30-26)33-19-21(25-8-4-5-11-29-25)16-24(27(33)34)23-7-3-2-6-20(23)17-28/h2-11,16,18-19H,12-15H2,1H3