methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperidin-4-yl]propanoate

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperidin-4-yl]propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-4-piperidyl]propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperidin-4-yl]propanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-4-piperidyl]propionic acid methyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H25N5O2/c1-27-19(26)9-2-14-10-12-25(13-11-14)18-8-7-17(23-24-18)15-3-5-16(6-4-15)20(21)22/h3-8,14H,2,9-13H2,1H3,(H3,21,22)