(1,3-diphenylpyrazol-4-yl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl]azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl]ammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[[4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl]azanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-methyl-ammonium Formula: C28H27N6O2+ MolecularWeight: 479.55298

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](C)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N6O2/c1-29-27(35)26-23-15-9-10-16-24(23)28(36)34(31-26)19-32(2)17-21-18-33(22-13-7-4-8-14-22)30-25(21)20-11-5-3-6-12-20/h3-16,18H,17,19H2,1-2H3,(H,29,35)/p+1