methyl 3-carbamimidoyl-4-[6-[5-(3-methoxy-3-oxidanylidene-propyl)-1H-imidazol-2-yl]pyridazin-3-yl]benzoate

Systemtic Name: methyl 3-carbamimidoyl-4-[6-[5-(3-methoxy-3-oxidanylidene-propyl)-1H-imidazol-2-yl]pyridazin-3-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[6-[5-(3-methoxy-3-oxo-propyl)-1H-imidazol-2-yl]pyridazin-3-yl]benzoate CAS Name: 3-carbamimidoyl-4-[6-[5-(3-methoxy-3-oxopropyl)-1H-imidazol-2-yl]-3-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[6-[5-(3-methoxy-3-oxopropyl)-1H-imidazol-2-yl]pyridazin-3-yl]benzoate Traditional Name: 3-amidino-4-[6-[5-(3-keto-3-methoxy-propyl)-1H-imidazol-2-yl]pyridazin-3-yl]benzoic acid methyl ester Formula: C20H20N6O4 MolecularWeight: 408.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN=C(N1)C2=NN=C(C=C2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CN=C(N1)C2=NN=C(C=C2)C3=C(C=C(C=C3)C(=O)OC)C(=N)N

InChI

InChI=1S/C20H20N6O4/c1-29-17(27)8-4-12-10-23-19(24-12)16-7-6-15(25-26-16)13-5-3-11(20(28)30-2)9-14(13)18(21)22/h3,5-7,9-10H,4,8H2,1-2H3,(H3,21,22)(H,23,24)