methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(5-carbamimidoyl-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(5-carbamimidoylpyridin-2-yl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(5-amidino-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H30N6O3/c1-24(16-6-3-14(4-7-16)19(27)29-2)20(28)26-11-9-25(10-12-26)17-8-5-15(13-23-17)18(21)22/h5,8,13-14,16H,3-4,6-7,9-12H2,1-2H3,(H3,21,22)