1-(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)-3-ethanoyl-5-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 1-(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)-3-ethanoyl-5-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-phenyl-pyrazole-4-carbonitrile CAS Name: 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-phenylpyrazole-4-carbonitrile Traditional Name: 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-phenyl-pyrazole-4-carbonitrile Formula: C21H14BrN5O MolecularWeight: 432.27276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=C1C#N)C2=CC=CC=C2)C3=NNC(=C3Br)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN(C(=C1C#N)C2=CC=CC=C2)C3=NNC(=C3Br)C4=CC=CC=C4

InChI

InChI=1S/C21H14BrN5O/c1-13(28)18-16(12-23)20(15-10-6-3-7-11-15)27(26-18)21-17(22)19(24-25-21)14-8-4-2-5-9-14/h2-11H,1H3,(H,24,25)