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

Systemtic Name: [2-methyl-3-[6-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-methyl-3-[6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-methyl-3-[6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: [2-methyl-3-[6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-propylbenzimidazol-1-yl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[6-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC1=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/C28H26N4O4/c1-3-7-25-29-22-12-10-19(21-13-15-26(33)31-30-21)16-24(22)32(25)23-14-11-20(18-8-5-4-6-9-18)27(17(23)2)36-28(34)35/h4-6,8-12,14,16H,3,7,13,15H2,1-2H3,(H,31,33)(H,34,35)