methyl 3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]benzoate hydrochloride

Systemtic Name: methyl 3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]benzoate hydrochloride Openeye Name: methyl 3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]benzoate hydrochloride CAS Name: 3-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-methylamino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methylamino]benzoate hydrochloride Traditional Name: 3-[[6-(4-amidinophenyl)pyridazin-3-yl]-methyl-amino]benzoic acid methyl ester hydrochloride Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(C=C1)C2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=O)OC.Cl

Isomeric SMILES

CN(C1=NN=C(C=C1)C2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=O)OC.Cl

InChI

InChI=1S/C20H19N5O2.ClH/c1-25(16-5-3-4-15(12-16)20(26)27-2)18-11-10-17(23-24-18)13-6-8-14(9-7-13)19(21)22;/h3-12H,1-2H3,(H3,21,22);1H