3-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-4H-pyrazolo[5,1-b]quinazolin-10-ium-9-one

Systemtic Name: 3-[[5-methyl-2-(4-methylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-4H-pyrazolo[5,1-b]quinazolin-10-ium-9-one Openeye Name: 3-[[5-methyl-3-oxo-2-(p-tolyl)-1H-pyrazol-4-yl]methylene]-4H-pyrazolo[5,1-b]quinazolin-10-ium-9-one CAS Name: 3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-4H-pyrazolo[5,1-b]quinazolin-10-ium-9-one IUPAC Name: 3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-4H-pyrazolo[5,1-b]quinazolin-10-ium-9-one Traditional Name: 3-[[5-keto-3-methyl-1-(p-tolyl)-3-pyrazolin-4-yl]methylene]-4H-pyrazolo[5,1-b]quinazolin-10-ium-9-one Formula: C22H18N5O2+ MolecularWeight: 384.41062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=N[N+]4=C3NC5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(N2)C)C=C3C=N[N+]4=C3NC5=CC=CC=C5C4=O

InChI

InChI=1S/C22H17N5O2/c1-13-7-9-16(10-8-13)26-22(29)18(14(2)25-26)11-15-12-23-27-20(15)24-19-6-4-3-5-17(19)21(27)28/h3-12H,1-2H3,(H,23,24,25,28,29)/p+1