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

Systemtic Name: butyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoate Openeye Name: butyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-imidazolyl]propanoic acid butyl ester IUPAC Name: butyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]imidazol-4-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/c1-2-3-12-29-20(28)11-8-17-13-27(14-24-17)19-10-9-18(25-26-19)15-4-6-16(7-5-15)21(22)23/h4-7,9-10,13-14H,2-3,8,11-12H2,1H3,(H3,22,23)