N'-[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]adamantane-1-carbohydrazide Openeye Name: N'-[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]adamantane-1-carbohydrazide CAS Name: N'-[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]adamantane-1-carbohydrazide Traditional Name: N'-[(E)-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]adamantane-1-carbohydrazide Formula: C22H25ClN4O2 MolecularWeight: 412.9125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H25ClN4O2/c1-13-19(20(28)27(26-13)18-4-2-17(23)3-5-18)12-24-25-21(29)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,12,14-16,24H,6-11H2,1H3,(H,25,29)/b19-12+