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

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-3-piperidin-1-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-3-(1-piperidyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-(1-piperidinyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-3-piperidin-1-ylpyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-piperidino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H30N6O3/c25-21(26)16-6-4-15(5-7-16)20-14-19(22(29-28-20)30-12-2-1-3-13-30)23(31)27-18-10-8-17(9-11-18)24(32)33/h4-7,14,17-18H,1-3,8-13H2,(H3,25,26)(H,27,31)(H,32,33)