3-methyl-1-(2-methylpropyl)-4-oxidanylidene-6-(phenylmethyl)pyrrolo[3,4-d]pyridazine-7-carboxylic acid

Systemtic Name: 3-methyl-1-(2-methylpropyl)-4-oxidanylidene-6-(phenylmethyl)pyrrolo[3,4-d]pyridazine-7-carboxylic acid Openeye Name: 6-benzyl-1-isobutyl-3-methyl-4-oxo-pyrrolo[3,4-d]pyridazine-7-carboxylic acid CAS Name: 3-methyl-1-(2-methylpropyl)-4-oxo-6-(phenylmethyl)-7-pyrrolo[3,4-d]pyridazinecarboxylic acid IUPAC Name: 6-benzyl-3-methyl-1-(2-methylpropyl)-4-oxopyrrolo[3,4-d]pyridazine-7-carboxylic acid Traditional Name: 6-benzyl-1-isobutyl-4-keto-3-methyl-pyrrolo[3,4-d]pyridazine-7-carboxylic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=CN(C(=C21)C(=O)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=CN(C(=C21)C(=O)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N3O3/c1-12(2)9-15-16-14(18(23)21(3)20-15)11-22(17(16)19(24)25)10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,24,25)