methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]ethanoate

Systemtic Name: methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]ethanoate Openeye Name: methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]acetate CAS Name: 2-[4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-methylamino]cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methylamino]cyclohexyl]acetate Traditional Name: 2-[4-[[6-(4-amidinophenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]acetic acid methyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-26(17-9-3-14(4-10-17)13-20(27)28-2)19-12-11-18(24-25-19)15-5-7-16(8-6-15)21(22)23/h5-8,11-12,14,17H,3-4,9-10,13H2,1-2H3,(H3,22,23)