methyl 2-[[4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[1-(3,4-dimethylphenyl)-6-oxidanylidene-pyridazin-3-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[1-(3,4-dimethylphenyl)-6-oxo-pyridazin-3-yl]piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[1-(3,4-dimethylphenyl)-6-oxo-3-pyridazinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[1-(3,4-dimethylphenyl)-6-keto-pyridazin-3-yl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C25H27N5O4/c1-17-8-9-19(16-18(17)2)30-23(31)11-10-22(27-30)28-12-14-29(15-13-28)25(33)26-21-7-5-4-6-20(21)24(32)34-3/h4-11,16H,12-15H2,1-3H3,(H,26,33)