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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)CC3(C)C)C4=CC=CC=C4C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(N1)C=C(C=C2)C3=NN(C(=O)CC3(C)C)C4=CC=CC=C4C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C31H32N4O3/c1-5-6-15-27-32-24-17-16-20(18-25(24)33-27)29-31(2,3)19-28(36)35(34-29)26-14-10-9-12-22(26)21-11-7-8-13-23(21)30(37)38-4/h7-14,16-18H,5-6,15,19H2,1-4H3,(H,32,33)