methyl 4-azanyl-5-chloranyl-2-[3-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)propyl]-2-piperidin-4-yl-3H-1-benzofuran-7-carboxylate

Systemtic Name: methyl 4-azanyl-5-chloranyl-2-[3-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)propyl]-2-piperidin-4-yl-3H-1-benzofuran-7-carboxylate Openeye Name: methyl 4-amino-5-chloro-2-[3-(3-chloro-6-oxo-pyridazin-1-yl)propyl]-2-(4-piperidyl)-3H-benzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2-[3-(3-chloro-6-oxo-1-pyridazinyl)propyl]-2-(4-piperidinyl)-3H-benzofuran-7-carboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-chloro-2-[3-(3-chloro-6-oxopyridazin-1-yl)propyl]-2-piperidin-4-yl-3H-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-2-[3-(3-chloro-6-keto-pyridazin-1-yl)propyl]-2-(4-piperidyl)coumaran-7-carboxylic acid methyl ester Formula: C22H26Cl2N4O4 MolecularWeight: 481.37224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C2=C1OC(C2)(CCCN3C(=O)C=CC(=N3)Cl)C4CCNCC4)N)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C2=C1OC(C2)(CCCN3C(=O)C=CC(=N3)Cl)C4CCNCC4)N)Cl

InChI

InChI=1S/C22H26Cl2N4O4/c1-31-21(30)14-11-16(23)19(25)15-12-22(32-20(14)15,13-5-8-26-9-6-13)7-2-10-28-18(29)4-3-17(24)27-28/h3-4,11,13,26H,2,5-10,12,25H2,1H3