methyl 4-[[6-(4-carbamimidoylphenyl)-3-(4-ethanoylpiperazin-1-yl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-(4-ethanoylpiperazin-1-yl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-(4-acetylpiperazin-1-yl)-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[3-(4-acetyl-1-piperazinyl)-6-(4-carbamimidoylphenyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-(4-acetylpiperazin-1-yl)-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[3-(4-acetylpiperazino)-6-(4-amidinophenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C26H33N7O4 MolecularWeight: 507.58472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N7O4/c1-16(34)32-11-13-33(14-12-32)24-21(25(35)29-20-9-7-19(8-10-20)26(36)37-2)15-22(30-31-24)17-3-5-18(6-4-17)23(27)28/h3-6,15,19-20H,7-14H2,1-2H3,(H3,27,28)(H,29,35)