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

Systemtic Name: methyl 2-[2-[[2-butyl-6-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[2-[[2-butyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[2-[[2-butyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1-benzimidazolyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[[2-butyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[2-[[2-butyl-6-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid methyl ester Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC=C3C4=CC=CC=C4C(=O)OC)C=C(C=C2)C5=NNC(=O)CC5C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC=C3C4=CC=CC=C4C(=O)OC)C=C(C=C2)C5=NNC(=O)CC5C

InChI

InChI=1S/C31H32N4O3/c1-4-5-14-28-32-26-16-15-21(30-20(2)17-29(36)33-34-30)18-27(26)35(28)19-22-10-6-7-11-23(22)24-12-8-9-13-25(24)31(37)38-3/h6-13,15-16,18,20H,4-5,14,17,19H2,1-3H3,(H,33,36)