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

Systemtic Name: 2-(7-methyl-4-oxidanylidene-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)ethanoic acid Openeye Name: 2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)acetic acid CAS Name: 2-[7-methyl-4-oxo-2-phenyl-3-(1-pyrrolyl)-5-pyrazolo[3,4-d]pyridazinyl]acetic acid IUPAC Name: 2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)acetic acid Traditional Name: 2-(4-keto-7-methyl-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)acetic acid Formula: C18H15N5O3 MolecularWeight: 349.3434

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O3/c1-12-16-15(18(26)22(19-12)11-14(24)25)17(21-9-5-6-10-21)23(20-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,24,25)