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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-piperidin-1-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-(1-piperidyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-(1-piperidinyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-piperidin-1-ylpyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidinophenyl)-3-piperidino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C25H33ClN6O3 MolecularWeight: 501.02092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2N3CCCCC3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2N3CCCCC3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C25H32N6O3.ClH/c1-34-25(33)18-9-11-19(12-10-18)28-24(32)20-15-21(16-5-7-17(8-6-16)22(26)27)29-30-23(20)31-13-3-2-4-14-31;/h5-8,15,18-19H,2-4,9-14H2,1H3,(H3,26,27)(H,28,32);1H