ethyl 2-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-(6-oxo-1-phenyl-pyridazin-3-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-(6-oxo-1-phenyl-3-pyridazinyl)-1-piperazinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(6-oxo-1-phenylpyridazin-3-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(6-keto-1-phenyl-pyridazin-3-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O4/c1-2-33-23(31)19-10-6-7-11-20(19)25-24(32)28-16-14-27(15-17-28)21-12-13-22(30)29(26-21)18-8-4-3-5-9-18/h3-13H,2,14-17H2,1H3,(H,25,32)