3-[4-[[1-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[[1-(2-cyanoethyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenyl-4-pyrazolylidene]methyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[[1-(2-cyanoethyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[[1-(2-cyanoethyl)-5-keto-3-phenyl-2-pyrazolin-4-ylidene]methyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C25H20N6O MolecularWeight: 420.4659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC#N)C4=CC=CC=C4)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC#N)C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C25H20N6O/c26-13-7-15-30-18-21(23(28-30)19-9-3-1-4-10-19)17-22-24(20-11-5-2-6-12-20)29-31(25(22)32)16-8-14-27/h1-6,9-12,17-18H,7-8,15-16H2