4-[(1-adamantylamino)methylidene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: 4-[(1-adamantylamino)methylidene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one Openeye Name: 4-[(1-adamantylamino)methylene]-2-(3-chlorophenyl)-5-methyl-pyrazol-3-one CAS Name: 4-[(1-adamantylamino)methylidene]-2-(3-chlorophenyl)-5-methyl-3-pyrazolone IUPAC Name: 4-[(1-adamantylamino)methylidene]-2-(3-chlorophenyl)-5-methylpyrazol-3-one Traditional Name: 4-[(1-adamantylamino)methylene]-2-(3-chlorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H24ClN3O MolecularWeight: 369.88776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CNC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H24ClN3O/c1-13-19(20(26)25(24-13)18-4-2-3-17(22)8-18)12-23-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,12,14-16,23H,5-7,9-11H2,1H3