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

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

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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=NN(C(=O)CC5)C

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)C5=NN(C(=O)CC5)C

InChI

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