methyl 2-[2-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate

Systemtic Name: methyl 2-[2-(5,7-dimethyl-4-oxidanylidene-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Openeye Name: methyl 2-[2-(5,7-dimethyl-4-oxo-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate CAS Name: 2-[[2-(5,7-dimethyl-4-oxo-3-phenyl-6-pyrrolo[3,4-d]pyridazinyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Traditional Name: 2-[2-(4-keto-5,7-dimethyl-3-phenyl-pyrrolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoic acid methyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)N2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)N2C(=C3C=NN(C(=O)C3=C2C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H26N4O4/c1-5-22(24(31)28-21-14-10-9-13-19(21)26(33)34-4)29-16(2)20-15-27-30(18-11-7-6-8-12-18)25(32)23(20)17(29)3/h6-15,22H,5H2,1-4H3,(H,28,31)