2-(2-chloranyl-4,6-dimethyl-phenyl)-5-[(2,4-dimethylphenoxy)methyl]-4-phenoxy-4H-pyrazol-3-one

Systemtic Name: 2-(2-chloranyl-4,6-dimethyl-phenyl)-5-[(2,4-dimethylphenoxy)methyl]-4-phenoxy-4H-pyrazol-3-one Openeye Name: 2-(2-chloro-4,6-dimethyl-phenyl)-5-[(2,4-dimethylphenoxy)methyl]-4-phenoxy-4H-pyrazol-3-one CAS Name: 2-(2-chloro-4,6-dimethylphenyl)-5-[(2,4-dimethylphenoxy)methyl]-4-phenoxy-4H-pyrazol-3-one IUPAC Name: 2-(2-chloro-4,6-dimethylphenyl)-5-[(2,4-dimethylphenoxy)methyl]-4-phenoxy-4H-pyrazol-3-one Traditional Name: 2-(2-chloro-4,6-dimethyl-phenyl)-5-[(2,4-dimethylphenoxy)methyl]-4-phenoxy-2-pyrazolin-3-one Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NN(C(=O)C2OC3=CC=CC=C3)C4=C(C=C(C=C4Cl)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NN(C(=O)C2OC3=CC=CC=C3)C4=C(C=C(C=C4Cl)C)C)C

InChI

InChI=1S/C26H25ClN2O3/c1-16-10-11-23(18(3)12-16)31-15-22-25(32-20-8-6-5-7-9-20)26(30)29(28-22)24-19(4)13-17(2)14-21(24)27/h5-14,25H,15H2,1-4H3