(2E)-2-(3-azanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-N-(2-ethylphenyl)-2-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)ethanamide bromide

Systemtic Name: (2E)-2-(3-azanyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-N-(2-ethylphenyl)-2-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)ethanamide bromide Openeye Name: (2E)-2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(2-ethylphenyl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide bromide CAS Name: (2E)-2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(2-ethylphenyl)-2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazinylidene]acetamide bromide IUPAC Name: (2E)-2-(3-amino-5-oxo-1-phenyl-4H-pyrazol-4-yl)-N-(2-ethylphenyl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]acetamide bromide Traditional Name: (2E)-2-(3-amino-5-keto-1-phenyl-2-pyrazolin-4-yl)-N-(2-ethylphenyl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide bromide Formula: C26H26BrN7O3 MolecularWeight: 564.43374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)C3C(=NN(C3=O)C4=CC=CC=C4)N.[Br-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)/C(=N/NC(=O)C[N+]2=CC=CC=C2)/C3C(=NN(C3=O)C4=CC=CC=C4)N.[Br-]

InChI

InChI=1S/C26H25N7O3.BrH/c1-2-18-11-7-8-14-20(18)28-25(35)23(30-29-21(34)17-32-15-9-4-10-16-32)22-24(27)31-33(26(22)36)19-12-5-3-6-13-19;/h3-16,22H,2,17H2,1H3,(H3-,27,28,29,31,34,35);1H