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

Systemtic Name: methyl 2-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O4/c1-32-22(30)18-9-5-6-10-19(18)24-23(31)27-15-13-26(14-16-27)20-11-12-21(29)28(25-20)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3,(H,24,31)