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

Systemtic Name: N'-[(Z)-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-butoxyphenyl)-1H-pyrazole-5-carbohydrazide Openeye Name: N'-[(Z)-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-butoxyphenyl)-1H-pyrazole-5-carbohydrazide CAS Name: N'-[(Z)-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-(4-butoxyphenyl)-1H-pyrazole-5-carbohydrazide IUPAC Name: N'-[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-butoxyphenyl)-1H-pyrazole-5-carbohydrazide Traditional Name: N'-[(Z)-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-3-(4-butoxyphenyl)-1H-pyrazole-5-carbohydrazide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NNC=C3C=C(C=CC3=O)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN/C=C\3/C=C(C=CC3=O)Br

InChI

InChI=1S/C21H21BrN4O3/c1-2-3-10-29-17-7-4-14(5-8-17)18-12-19(25-24-18)21(28)26-23-13-15-11-16(22)6-9-20(15)27/h4-9,11-13,23H,2-3,10H2,1H3,(H,24,25)(H,26,28)/b15-13-