5-[3-(1-bromoethyl)-1-ethanoyl-5-ethyl-pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile

Systemtic Name: 5-[3-(1-bromoethyl)-1-ethanoyl-5-ethyl-pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile Openeye Name: 5-[1-acetyl-3-(1-bromoethyl)-5-ethyl-pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile CAS Name: 5-[[1-acetyl-3-(1-bromoethyl)-5-ethyl-4-pyrazolyl]oxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[1-acetyl-3-(1-bromoethyl)-5-ethylpyrazol-4-yl]oxybenzene-1,3-dicarbonitrile Traditional Name: 5-[1-acetyl-3-(1-bromoethyl)-5-ethyl-pyrazol-4-yl]oxyisophthalonitrile Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C(=O)C)C(C)Br)OC2=CC(=CC(=C2)C#N)C#N

Isomeric SMILES

CCC1=C(C(=NN1C(=O)C)C(C)Br)OC2=CC(=CC(=C2)C#N)C#N

InChI

InChI=1S/C17H15BrN4O2/c1-4-15-17(16(10(2)18)21-22(15)11(3)23)24-14-6-12(8-19)5-13(7-14)9-20/h5-7,10H,4H2,1-3H3