ethyl 3-carbamimidoyl-4-[6-[4-(3-ethoxy-3-oxidanylidene-propyl)imidazol-1-yl]pyridazin-3-yl]benzoate

Systemtic Name: ethyl 3-carbamimidoyl-4-[6-[4-(3-ethoxy-3-oxidanylidene-propyl)imidazol-1-yl]pyridazin-3-yl]benzoate Openeye Name: ethyl 3-carbamimidoyl-4-[6-[4-(3-ethoxy-3-oxo-propyl)imidazol-1-yl]pyridazin-3-yl]benzoate CAS Name: 3-carbamimidoyl-4-[6-[4-(3-ethoxy-3-oxopropyl)-1-imidazolyl]-3-pyridazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-carbamimidoyl-4-[6-[4-(3-ethoxy-3-oxopropyl)imidazol-1-yl]pyridazin-3-yl]benzoate Traditional Name: 3-amidino-4-[6-[4-(3-ethoxy-3-keto-propyl)imidazol-1-yl]pyridazin-3-yl]benzoic acid ethyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN(C=N1)C2=NN=C(C=C2)C3=C(C=C(C=C3)C(=O)OCC)C(=N)N

Isomeric SMILES

CCOC(=O)CCC1=CN(C=N1)C2=NN=C(C=C2)C3=C(C=C(C=C3)C(=O)OCC)C(=N)N

InChI

InChI=1S/C22H24N6O4/c1-3-31-20(29)10-6-15-12-28(13-25-15)19-9-8-18(26-27-19)16-7-5-14(22(30)32-4-2)11-17(16)21(23)24/h5,7-9,11-13H,3-4,6,10H2,1-2H3,(H3,23,24)