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

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-3-(4-ethanoylpiperazin-1-yl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(4-acetylpiperazin-1-yl)-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[3-(4-acetyl-1-piperazinyl)-6-(4-carbamimidoylphenyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(4-acetylpiperazin-1-yl)-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(4-acetylpiperazino)-6-(4-amidinophenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C25H31N7O4 MolecularWeight: 493.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NN=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NN=C(C=C2C(=O)NC3CCC(CC3)C(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H31N7O4/c1-15(33)31-10-12-32(13-11-31)23-20(24(34)28-19-8-6-18(7-9-19)25(35)36)14-21(29-30-23)16-2-4-17(5-3-16)22(26)27/h2-5,14,18-19H,6-13H2,1H3,(H3,26,27)(H,28,34)(H,35,36)