3-methoxy-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethoxy]-3-methoxy-benzonitrile Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H19N5O3/c1-25-16-11-14(12-19)3-4-15(16)26-13-17(24)22-7-9-23(10-8-22)18-20-5-2-6-21-18/h2-6,11H,7-10,13H2,1H3