4-[(5-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-[(5-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-[(5-chloro-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-[(5-chloro-2-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-[(5-chloro-2-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(5-chloro-2-hydroxy-phenyl)-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C27H23ClN4O3 MolecularWeight: 486.94952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN4O3/c1-16-23(26(34)31(29-16)19-9-5-3-6-10-19)25(21-15-18(28)13-14-22(21)33)24-17(2)30-32(27(24)35)20-11-7-4-8-12-20/h3-15,25,29-30,33H,1-2H3