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

Systemtic Name: 4-(7-methyl-4-oxidanylidene-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)butanoic acid Openeye Name: 4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)butanoic acid CAS Name: 4-[7-methyl-4-oxo-2-phenyl-3-(1-pyrrolyl)-5-pyrazolo[3,4-d]pyridazinyl]butanoic acid IUPAC Name: 4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)butanoic acid Traditional Name: 4-(4-keto-7-methyl-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)butyric acid Formula: C20H19N5O3 MolecularWeight: 377.39656

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3/c1-14-18-17(20(28)24(21-14)13-7-10-16(26)27)19(23-11-5-6-12-23)25(22-18)15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,26,27)