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

Systemtic Name: ethyl 4-(7-methyl-4-oxidanylidene-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)butanoate Openeye Name: ethyl 4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)butanoate CAS Name: 4-[7-methyl-4-oxo-2-phenyl-3-(1-pyrrolyl)-5-pyrazolo[3,4-d]pyridazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)butanoate Traditional Name: 4-(4-keto-7-methyl-2-phenyl-3-pyrrol-1-yl-pyrazolo[3,4-d]pyridazin-5-yl)butyric acid ethyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(N(N=C2C(=N1)C)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(N(N=C2C(=N1)C)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H23N5O3/c1-3-30-18(28)12-9-15-26-22(29)19-20(16(2)23-26)24-27(17-10-5-4-6-11-17)21(19)25-13-7-8-14-25/h4-8,10-11,13-14H,3,9,12,15H2,1-2H3