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

Systemtic Name: methyl 3-carbamimidoyl-4-[6-[4-[3-methoxy-2-(methoxycarbonylamino)-3-oxidanylidene-propyl]imidazol-1-yl]pyridazin-3-yl]benzoate Openeye Name: methyl 3-carbamimidoyl-4-[6-[4-[3-methoxy-2-(methoxycarbonylamino)-3-oxo-propyl]imidazol-1-yl]pyridazin-3-yl]benzoate CAS Name: 3-carbamimidoyl-4-[6-[4-[3-methoxy-2-(methoxycarbonylamino)-3-oxopropyl]-1-imidazolyl]-3-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-4-[6-[4-[3-methoxy-2-(methoxycarbonylamino)-3-oxopropyl]imidazol-1-yl]pyridazin-3-yl]benzoate Traditional Name: 3-amidino-4-[6-[4-[2-(carbomethoxyamino)-3-keto-3-methoxy-propyl]imidazol-1-yl]pyridazin-3-yl]benzoic acid methyl ester Formula: C22H23N7O6 MolecularWeight: 481.46132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=NN=C(C=C2)N3C=C(N=C3)CC(C(=O)OC)NC(=O)OC)C(=N)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=NN=C(C=C2)N3C=C(N=C3)CC(C(=O)OC)NC(=O)OC)C(=N)N

InChI

InChI=1S/C22H23N7O6/c1-33-20(30)12-4-5-14(15(8-12)19(23)24)16-6-7-18(28-27-16)29-10-13(25-11-29)9-17(21(31)34-2)26-22(32)35-3/h4-8,10-11,17H,9H2,1-3H3,(H3,23,24)(H,26,32)