5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(4-butylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1-(4-butylphenyl)-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(4-butylphenyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-(4-butylphenyl)-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(5-bromo-2-hydroxybenzoyl)-1-(4-butylphenyl)-2-oxopyridine-3-carbonitrile Traditional Name: 5-(5-bromo-2-hydroxy-benzoyl)-1-(4-butylphenyl)-2-keto-nicotinonitrile Formula: C23H19BrN2O3 MolecularWeight: 451.31256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C23H19BrN2O3/c1-2-3-4-15-5-8-19(9-6-15)26-14-17(11-16(13-25)23(26)29)22(28)20-12-18(24)7-10-21(20)27/h5-12,14,27H,2-4H2,1H3