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

Systemtic Name: ethyl 2-[4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate Openeye Name: ethyl 2-[4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]butanoylamino]benzoate CAS Name: 2-[[4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate Traditional Name: 2-[4-[3-(4-bromophenyl)-6-keto-pyridazin-1-yl]butanoylamino]benzoic acid ethyl ester Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O4/c1-2-31-23(30)18-6-3-4-7-20(18)25-21(28)8-5-15-27-22(29)14-13-19(26-27)16-9-11-17(24)12-10-16/h3-4,6-7,9-14H,2,5,8,15H2,1H3,(H,25,28)