3-[5-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[oxo-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(6-keto-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)NN=C1C(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O4/c27-19-9-7-15(24-25-19)21(30)23-14-6-8-17-16(10-14)22-12-26(17)18(11-20(28)29)13-4-2-1-3-5-13/h1-6,8,10,12,18H,7,9,11H2,(H,23,30)(H,25,27)(H,28,29)