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

Systemtic Name: 3-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)propyl 5-chloranyl-4-(piperidin-4-ylamino)-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: 3-(3-chloro-6-oxo-pyridazin-1-yl)propyl 5-chloro-4-(4-piperidylamino)-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 5-chloro-4-(4-piperidinylamino)-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-ylamino)-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 5-chloro-4-(4-piperidylamino)coumaran-7-carboxylic acid 3-(3-chloro-6-keto-pyridazin-1-yl)propyl ester Formula: C21H24Cl2N4O4 MolecularWeight: 467.34566

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=C(C=C(C3=C2CCO3)C(=O)OCCCN4C(=O)C=CC(=N4)Cl)Cl

Isomeric SMILES

C1CNCCC1NC2=C(C=C(C3=C2CCO3)C(=O)OCCCN4C(=O)C=CC(=N4)Cl)Cl

InChI

InChI=1S/C21H24Cl2N4O4/c22-16-12-15(21(29)31-10-1-9-27-18(28)3-2-17(23)26-27)20-14(6-11-30-20)19(16)25-13-4-7-24-8-5-13/h2-3,12-13,24-25H,1,4-11H2