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

Systemtic Name: methyl 2-[4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate CAS Name: 2-[[4-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Traditional Name: 2-[4-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoic acid methyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O4/c1-16-22-17(2)30(18-10-5-4-6-11-18)28-23(22)24(32)29(27-16)15-9-14-21(31)26-20-13-8-7-12-19(20)25(33)34-3/h4-8,10-13H,9,14-15H2,1-3H3,(H,26,31)