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

Systemtic Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C30H30N4O MolecularWeight: 462.5854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C30H30N4O/c1-20-27(29(35)34(31-20)26-10-6-3-7-11-26)15-24-19-33(25-8-4-2-5-9-25)32-28(24)30-16-21-12-22(17-30)14-23(13-21)18-30/h2-11,15,19,21-23H,12-14,16-18H2,1H3/b27-15-