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

Systemtic Name: N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carbohydrazide Openeye Name: N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-isobutylphenyl)-1H-pyrazole-5-carbohydrazide CAS Name: N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carbohydrazide IUPAC Name: N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carbohydrazide Traditional Name: N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-isobutylphenyl)-1H-pyrazole-5-carbohydrazide Formula: C21H21BrN4O2 MolecularWeight: 441.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC=C3C=C(C=CC3=O)Br

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C21H21BrN4O2/c1-13(2)9-14-3-5-15(6-4-14)18-11-19(25-24-18)21(28)26-23-12-16-10-17(22)7-8-20(16)27/h3-8,10-13,23H,9H2,1-2H3,(H,24,25)(H,26,28)