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

Systemtic Name: 3-[4-[2-[2-(2-cyanoethyl)-3-oxidanylidene-5-phenyl-1H-pyrazol-4-yl]butan-2-yl]-3-oxidanylidene-5-phenyl-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[4-[1-[2-(2-cyanoethyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-1-methyl-propyl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[4-[2-[2-(2-cyanoethyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]butan-2-yl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[4-[2-[2-(2-cyanoethyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]butan-2-yl]-3-oxo-5-phenyl-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[4-[1-[1-(2-cyanoethyl)-5-keto-3-phenyl-3-pyrazolin-4-yl]-1-methyl-propyl]-5-keto-3-phenyl-3-pyrazolin-1-yl]propionitrile Formula: C28H28N6O2 MolecularWeight: 480.56092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N6O2/c1-3-28(2,22-24(20-12-6-4-7-13-20)31-33(26(22)35)18-10-16-29)23-25(21-14-8-5-9-15-21)32-34(27(23)36)19-11-17-30/h4-9,12-15,31-32H,3,10-11,18-19H2,1-2H3