5-(1-adamantyl)-N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide

Systemtic Name: 5-(1-adamantyl)-N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Openeye Name: 5-(1-adamantyl)-N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide CAS Name: 5-(1-adamantyl)-N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1H-pyrazole-3-carbohydrazide IUPAC Name: 5-(1-adamantyl)-N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Traditional Name: 5-(1-adamantyl)-N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazole-3-carbohydrazide Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NNC=C5C=C(C=CC5=O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NN4)C(=O)NNC=C5C=C(C=CC5=O)Br

InChI

InChI=1S/C21H23BrN4O2/c22-16-1-2-18(27)15(6-16)11-23-26-20(28)17-7-19(25-24-17)21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,11-14,23H,3-5,8-10H2,(H,24,25)(H,26,28)