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

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

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)NC3=CC=CC=C3C(=O)OC)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C=NN(C(=O)C2=C(N1CCCC(=O)NC3=CC=CC=C3C(=O)OC)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4/c1-17-21-16-27-30(19-10-5-4-6-11-19)25(32)24(21)18(2)29(17)15-9-14-23(31)28-22-13-8-7-12-20(22)26(33)34-3/h4-8,10-13,16H,9,14-15H2,1-3H3,(H,28,31)