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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-pyrrolidin-1-yl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-pyrrolidin-1-yl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-(1-pyrrolidinyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-pyrrolidin-1-ylpyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidinophenyl)-3-pyrrolidino-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C24H31ClN6O3 MolecularWeight: 486.99434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2N3CCCC3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2N3CCCC3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C24H30N6O3.ClH/c1-33-24(32)17-8-10-18(11-9-17)27-23(31)19-14-20(15-4-6-16(7-5-15)21(25)26)28-29-22(19)30-12-2-3-13-30;/h4-7,14,17-18H,2-3,8-13H2,1H3,(H3,25,26)(H,27,31);1H