5-(1-adamantyl)-N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide

Systemtic Name: 5-(1-adamantyl)-N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Openeye Name: 5-(1-adamantyl)-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide CAS Name: 5-(1-adamantyl)-N'-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1H-pyrazole-3-carbohydrazide IUPAC Name: 5-(1-adamantyl)-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Traditional Name: 5-(1-adamantyl)-N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NNC=C5C=CC(=O)C=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NNC=C5C=CC(=O)C=C5

InChI

InChI=1S/C21H24N4O2/c26-17-3-1-13(2-4-17)12-22-25-20(27)18-8-19(24-23-18)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,8,12,14-16,22H,5-7,9-11H2,(H,23,24)(H,25,27)