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

Systemtic Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: (4Z)-4-[[3-(1-adamantyl)-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: (4Z)-4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methylene]-2,5-diphenyl-2-pyrazolin-3-one Formula: C35H32N4O MolecularWeight: 524.65478

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C=C5C(=NN(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4/C=C\5/C(=NN(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C35H32N4O/c40-34-31(32(27-10-4-1-5-11-27)36-39(34)30-14-8-3-9-15-30)19-28-23-38(29-12-6-2-7-13-29)37-33(28)35-20-24-16-25(21-35)18-26(17-24)22-35/h1-15,19,23-26H,16-18,20-22H2/b31-19-