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

Systemtic Name: methyl 2-[4-[[6-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=C(C=C2)C5=NNC(=O)CC5

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=C(C=C2)C5=NNC(=O)CC5

InChI

InChI=1S/C29H28N4O3/c1-3-6-27-30-25-14-13-21(24-15-16-28(34)32-31-24)17-26(25)33(27)18-19-9-11-20(12-10-19)22-7-4-5-8-23(22)29(35)36-2/h4-5,7-14,17H,3,6,15-16,18H2,1-2H3,(H,32,34)