(4Z)-5-(1-adamantyl)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4Z)-5-(1-adamantyl)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-5-(1-adamantyl)-4-[(2,4-dichlorophenyl)methylene]-2-phenyl-pyrazol-3-one CAS Name: (4Z)-5-(1-adamantyl)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-5-(1-adamantyl)-4-[(2,4-dichlorophenyl)methylidene]-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-(1-adamantyl)-4-(2,4-dichlorobenzylidene)-2-phenyl-2-pyrazolin-3-one Formula: C26H24Cl2N2O MolecularWeight: 451.38756

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C(=O)C4=CC5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C\4=NN(C(=O)/C4=C\C5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6

InChI

InChI=1S/C26H24Cl2N2O/c27-20-7-6-19(23(28)12-20)11-22-24(29-30(25(22)31)21-4-2-1-3-5-21)26-13-16-8-17(14-26)10-18(9-16)15-26/h1-7,11-12,16-18H,8-10,13-15H2/b22-11-