4-[3-(dimethylazaniumyl)propylcarbamoyl]-5,6-diphenyl-pyridazin-3-olate

Systemtic Name: 4-[3-(dimethylazaniumyl)propylcarbamoyl]-5,6-diphenyl-pyridazin-3-olate Openeye Name: 4-[3-(dimethylammonio)propylcarbamoyl]-5,6-diphenyl-pyridazin-3-olate CAS Name: 4-[[3-(dimethylammonio)propylamino]-oxomethyl]-5,6-diphenyl-3-pyridazinolate IUPAC Name: 4-[3-(dimethylazaniumyl)propylcarbamoyl]-5,6-diphenylpyridazin-3-olate Traditional Name: 4-[3-(dimethylammonio)propylcarbamoyl]-5,6-diphenyl-pyridazin-3-olate Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C(C(=NN=C1[O-])C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C(C(=NN=C1[O-])C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2/c1-26(2)15-9-14-23-21(27)19-18(16-10-5-3-6-11-16)20(24-25-22(19)28)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3,(H,23,27)(H,25,28)