2-[4-[(2-butyl-5-methyl-4-oxidanylidene-imidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-methyl-4-oxidanylidene-imidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-methyl-4-oxo-imidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-methyl-4-oxo-3-imidazo[4,5-d]pyridazinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-keto-5-methyl-imidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)N(N=C2)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)N(N=C2)C

InChI

InChI=1S/C24H24N4O3/c1-3-4-9-21-26-20-14-25-27(2)23(29)22(20)28(21)15-16-10-12-17(13-11-16)18-7-5-6-8-19(18)24(30)31/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,30,31)