[3-[2-butyl-6-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)C5=NNC(=O)CC5

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)C5=NNC(=O)CC5

InChI

InChI=1S/C29H28N4O4/c1-3-4-10-26-30-23-13-11-20(22-14-16-27(34)32-31-22)17-25(23)33(26)24-15-12-21(19-8-6-5-7-9-19)28(18(24)2)37-29(35)36/h5-9,11-13,15,17H,3-4,10,14,16H2,1-2H3,(H,32,34)(H,35,36)