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

Systemtic Name: ethyl 3-[4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Openeye Name: ethyl 3-[4-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate CAS Name: 3-[[4-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoate Traditional Name: 3-[4-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)butanoylamino]benzoic acid ethyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O4/c1-4-35-26(34)19-10-8-11-20(16-19)27-22(32)14-9-15-30-25(33)24-23(17(2)28-30)18(3)31(29-24)21-12-6-5-7-13-21/h5-8,10-13,16H,4,9,14-15H2,1-3H3,(H,27,32)