3-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)propyl 5-chloranyl-4-(piperidin-4-ylmethylamino)-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: 3-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)propyl 5-chloranyl-4-(piperidin-4-ylmethylamino)-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: 3-(3-chloro-6-oxo-pyridazin-1-yl)propyl 5-chloro-4-(4-piperidylmethylamino)-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 5-chloro-4-(4-piperidinylmethylamino)-2,3-dihydrobenzofuran-7-carboxylic acid 3-(3-chloro-6-oxo-1-pyridazinyl)propyl ester IUPAC Name: 3-(3-chloro-6-oxopyridazin-1-yl)propyl 5-chloro-4-(piperidin-4-ylmethylamino)-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 5-chloro-4-(4-piperidylmethylamino)coumaran-7-carboxylic acid 3-(3-chloro-6-keto-pyridazin-1-yl)propyl ester Formula: C22H26Cl2N4O4 MolecularWeight: 481.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC2=C(C=C(C3=C2CCO3)C(=O)OCCCN4C(=O)C=CC(=N4)Cl)Cl

Isomeric SMILES

C1CNCCC1CNC2=C(C=C(C3=C2CCO3)C(=O)OCCCN4C(=O)C=CC(=N4)Cl)Cl

InChI

InChI=1S/C22H26Cl2N4O4/c23-17-12-16(22(30)32-10-1-9-28-19(29)3-2-18(24)27-28)21-15(6-11-31-21)20(17)26-13-14-4-7-25-8-5-14/h2-3,12,14,25-26H,1,4-11,13H2