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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]cyclohexanecarboxylate CAS Name: 4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)pyridazin-3-yl]amino]cyclohexanecarboxylic acid methyl ester Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H23N5O2/c1-26-19(25)14-6-8-15(9-7-14)22-17-11-10-16(23-24-17)12-2-4-13(5-3-12)18(20)21/h2-5,10-11,14-15H,6-9H2,1H3,(H3,20,21)(H,22,24)