5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-2-keto-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)nicotinonitrile Formula: C24H17BrN4O4 MolecularWeight: 505.32018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C=C(C3=O)C#N)C(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C=C(C3=O)C#N)C(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C24H17BrN4O4/c1-14-21(24(33)29(27(14)2)18-6-4-3-5-7-18)28-13-16(10-15(12-26)23(28)32)22(31)19-11-17(25)8-9-20(19)30/h3-11,13,30H,1-2H3