butyl 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate

Systemtic Name: butyl 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Openeye Name: butyl 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate CAS Name: 3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]propanoic acid butyl ester IUPAC Name: butyl 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Traditional Name: 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propionic acid butyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=CN=C(N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCOC(=O)CCC1=CN=C(N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N6O2/c1-2-3-12-29-19(28)11-8-16-13-24-21(25-16)18-10-9-17(26-27-18)14-4-6-15(7-5-14)20(22)23/h4-7,9-10,13H,2-3,8,11-12H2,1H3,(H3,22,23)(H,24,25)