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

Systemtic Name: 3-[4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-[2-(2-cyanoethyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-[2-(2-cyanoethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-[2-(2-cyanoethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-[2-(2-cyanoethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-[1-(2-cyanoethyl)-5-keto-3-methyl-3-pyrazolin-4-yl]methyl]-5-keto-3-methyl-3-pyrazolin-1-yl]propionitrile Formula: C22H23BrN6O4 MolecularWeight: 515.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN6O4/c1-12-17(21(31)28(26-12)8-4-6-24)19(14-10-15(23)20(30)16(11-14)33-3)18-13(2)27-29(22(18)32)9-5-7-25/h10-11,19,26-27,30H,4-5,8-9H2,1-3H3