2-(7-methyl-4-oxidanylidene-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)propanoic acid

Systemtic Name: 2-(7-methyl-4-oxidanylidene-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)propanoic acid Openeye Name: 2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)propanoic acid CAS Name: 2-[7-methyl-4-oxo-2-phenyl-3-(1-pyrrolyl)-5-pyrazolo[3,4-d]pyridazinyl]propanoic acid IUPAC Name: 2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)propanoic acid Traditional Name: 2-(4-keto-7-methyl-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)propionic acid Formula: C19H17N5O3 MolecularWeight: 363.36998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C(N(N=C12)C3=CC=CC=C3)N4C=CC=C4)C(C)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C2=C(N(N=C12)C3=CC=CC=C3)N4C=CC=C4)C(C)C(=O)O

InChI

InChI=1S/C19H17N5O3/c1-12-16-15(18(25)23(20-12)13(2)19(26)27)17(22-10-6-7-11-22)24(21-16)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,26,27)