6-chloranyl-7-oxidanyl-4-phenyl-8-[(pyridin-3-ylmethylamino)methyl]chromen-2-one dihydrochloride

Systemtic Name: 6-chloranyl-7-oxidanyl-4-phenyl-8-[(pyridin-3-ylmethylamino)methyl]chromen-2-one dihydrochloride Openeye Name: 6-chloro-7-hydroxy-4-phenyl-8-[(3-pyridylmethylamino)methyl]chromen-2-one dihydrochloride CAS Name: 6-chloro-7-hydroxy-4-phenyl-8-[(3-pyridinylmethylamino)methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 6-chloro-7-hydroxy-4-phenyl-8-[(pyridin-3-ylmethylamino)methyl]chromen-2-one dihydrochloride Traditional Name: 6-chloro-7-hydroxy-4-phenyl-8-[(3-pyridylmethylamino)methyl]coumarin dihydrochloride Formula: C22H19Cl3N2O3 MolecularWeight: 465.75686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)OC3=C(C(=C(C=C23)Cl)O)CNCC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=C(C(=C(C=C23)Cl)O)CNCC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C22H17ClN2O3.2ClH/c23-19-9-17-16(15-6-2-1-3-7-15)10-20(26)28-22(17)18(21(19)27)13-25-12-14-5-4-8-24-11-14;;/h1-11,25,27H,12-13H2;2*1H