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

Systemtic Name: ethyl 2-(7-methyl-4-oxidanylidene-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)propanoate Openeye Name: ethyl 2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)propanoate CAS Name: 2-[7-methyl-4-oxo-2-phenyl-3-(1-pyrrolyl)-5-pyrazolo[3,4-d]pyridazinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)propanoate Traditional Name: 2-(4-keto-7-methyl-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)propionic acid ethyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C(=O)C2=C(N(N=C2C(=N1)C)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C(C)N1C(=O)C2=C(N(N=C2C(=N1)C)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H21N5O3/c1-4-29-21(28)15(3)25-20(27)17-18(14(2)22-25)23-26(16-10-6-5-7-11-16)19(17)24-12-8-9-13-24/h5-13,15H,4H2,1-3H3