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

Systemtic Name: ethyl 4-[4-[3-(4-bromophenyl)-6-oxidanylidene-pyridazin-1-yl]butanoylamino]benzoate Openeye Name: ethyl 4-[4-[3-(4-bromophenyl)-6-oxo-pyridazin-1-yl]butanoylamino]benzoate CAS Name: 4-[[4-[3-(4-bromophenyl)-6-oxo-1-pyridazinyl]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate Traditional Name: 4-[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=C(C=C1)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O4/c1-2-31-23(30)17-7-11-19(12-8-17)25-21(28)4-3-15-27-22(29)14-13-20(26-27)16-5-9-18(24)10-6-16/h5-14H,2-4,15H2,1H3,(H,25,28)