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

Systemtic Name: methyl 4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoate CAS Name: 4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-butyl-3H-benzimidazol-5-yl)-4-methyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]benzoate Traditional Name: 4-[[3-(2-butyl-3H-benzimidazol-5-yl)-6-keto-4-methyl-4,5-dihydropyridazin-1-yl]methyl]benzoic acid methyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)CC3C)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)CC3C)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H28N4O3/c1-4-5-6-22-26-20-12-11-19(14-21(20)27-22)24-16(2)13-23(30)29(28-24)15-17-7-9-18(10-8-17)25(31)32-3/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,26,27)