ethyl 2-[4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate

Systemtic Name: ethyl 2-[4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate Openeye Name: ethyl 2-[4-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]butanoylamino]benzoate CAS Name: 2-[[4-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate Traditional Name: 2-[4-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]butanoylamino]benzoic acid ethyl ester Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H27N3O6/c1-4-34-25(31)18-8-5-6-9-20(18)26-23(29)10-7-15-28-24(30)14-12-19(27-28)17-11-13-21(32-2)22(16-17)33-3/h5-6,8-9,11-14,16H,4,7,10,15H2,1-3H3,(H,26,29)