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

Systemtic Name: N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-octoxyphenyl)-1H-pyrazole-5-carbohydrazide Openeye Name: N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-octoxyphenyl)-1H-pyrazole-5-carbohydrazide CAS Name: N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-(4-octoxyphenyl)-1H-pyrazole-5-carbohydrazide IUPAC Name: N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-octoxyphenyl)-1H-pyrazole-5-carbohydrazide Traditional Name: N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-octoxyphenyl)-1H-pyrazole-5-carbohydrazide Formula: C25H29BrN4O3 MolecularWeight: 513.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC=C3C=C(C=CC3=O)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C25H29BrN4O3/c1-2-3-4-5-6-7-14-33-21-11-8-18(9-12-21)22-16-23(29-28-22)25(32)30-27-17-19-15-20(26)10-13-24(19)31/h8-13,15-17,27H,2-7,14H2,1H3,(H,28,29)(H,30,32)