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

Systemtic Name: methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]cyclohexyl]ethanoate Openeye Name: methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]cyclohexyl]acetate CAS Name: 2-[4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]amino]cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]cyclohexyl]acetate Traditional Name: 2-[4-[[6-(4-amidinophenyl)pyridazin-3-yl]amino]cyclohexyl]acetic acid methyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCC(CC1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCC(CC1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H25N5O2/c1-27-19(26)12-13-2-8-16(9-3-13)23-18-11-10-17(24-25-18)14-4-6-15(7-5-14)20(21)22/h4-7,10-11,13,16H,2-3,8-9,12H2,1H3,(H3,21,22)(H,23,25)