methyl 4-[[3-azanyl-6-(4-carbamimidoylphenyl)pyridazin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[3-azanyl-6-(4-carbamimidoylphenyl)pyridazin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-amino-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[3-amino-6-(4-carbamimidoylphenyl)-4-pyridazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-amino-6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-3-amino-pyridazine-4-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CC(=NN=C2N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CC(=NN=C2N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H26N6O3/c1-27(15-9-7-14(8-10-15)21(29)30-2)20(28)16-11-17(25-26-19(16)24)12-3-5-13(6-4-12)18(22)23/h3-6,11,14-15H,7-10H2,1-2H3,(H3,22,23)(H2,24,26)