methyl 2-[3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanoylamino]benzoate

Systemtic Name: methyl 2-[3-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanoylamino]benzoate Openeye Name: methyl 2-[3-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanoylamino]benzoate CAS Name: 2-[[3-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanoylamino]benzoate Traditional Name: 2-[3-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)propanoylamino]benzoic acid methyl ester Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCC(=O)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C24H23N5O4/c1-15-21-16(2)29(17-9-5-4-6-10-17)27-22(21)23(31)28(26-15)14-13-20(30)25-19-12-8-7-11-18(19)24(32)33-3/h4-12H,13-14H2,1-3H3,(H,25,30)