4-[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-2-ethyl-3-keto-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25N5O4/c1-2-26-20(28)16(19(27)24-15-9-7-14(8-10-15)21(29)30)11-17(25-26)12-3-5-13(6-4-12)18(22)23/h3-6,11,14-15H,2,7-10H2,1H3,(H3,22,23)(H,24,27)(H,29,30)