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

Systemtic Name: 3-[4-[[2-(2-cyanoethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-(4-methoxy-3-oxidanyl-phenyl)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[4-[[2-(2-cyanoethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-(3-hydroxy-4-methoxy-phenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[4-[[2-(2-cyanoethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-(3-hydroxy-4-methoxyphenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[4-[[2-(2-cyanoethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-(3-hydroxy-4-methoxyphenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[4-[[1-(2-cyanoethyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-(3-hydroxy-4-methoxy-phenyl)methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]propionitrile Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)CCC#N)C(C2=CC(=C(C=C2)OC)O)C3=C(NN(C3=O)CCC#N)C

Isomeric SMILES

CC1=C(C(=O)N(N1)CCC#N)C(C2=CC(=C(C=C2)OC)O)C3=C(NN(C3=O)CCC#N)C

InChI

InChI=1S/C22H24N6O4/c1-13-18(21(30)27(25-13)10-4-8-23)20(15-6-7-17(32-3)16(29)12-15)19-14(2)26-28(22(19)31)11-5-9-24/h6-7,12,20,25-26,29H,4-5,10-11H2,1-3H3