4-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-[(3,5-dichloro-2-hydroxy-phenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-[(3,5-dichloro-2-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(3,5-dichloro-2-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(3,5-dichloro-2-hydroxy-phenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C27H22Cl2N4O3 MolecularWeight: 521.39458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC(=C3O)Cl)Cl)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC(=CC(=C3O)Cl)Cl)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H22Cl2N4O3/c1-15-22(26(35)32(30-15)18-9-5-3-6-10-18)24(20-13-17(28)14-21(29)25(20)34)23-16(2)31-33(27(23)36)19-11-7-4-8-12-19/h3-14,24,30-31,34H,1-2H3