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

Systemtic Name: 4-(4-methoxyphenyl)-7-oxidanyl-8-[(pyridin-3-ylmethylamino)methyl]chromen-2-one dihydrochloride Openeye Name: 7-hydroxy-4-(4-methoxyphenyl)-8-[(3-pyridylmethylamino)methyl]chromen-2-one dihydrochloride CAS Name: 7-hydroxy-4-(4-methoxyphenyl)-8-[(3-pyridinylmethylamino)methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 7-hydroxy-4-(4-methoxyphenyl)-8-[(pyridin-3-ylmethylamino)methyl]chromen-2-one dihydrochloride Traditional Name: 7-hydroxy-4-(4-methoxyphenyl)-8-[(3-pyridylmethylamino)methyl]coumarin dihydrochloride Formula: C23H22Cl2N2O4 MolecularWeight: 461.33778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNCC4=CN=CC=C4)O.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CNCC4=CN=CC=C4)O.Cl.Cl

InChI

InChI=1S/C23H20N2O4.2ClH/c1-28-17-6-4-16(5-7-17)19-11-22(27)29-23-18(19)8-9-21(26)20(23)14-25-13-15-3-2-10-24-12-15;;/h2-12,25-26H,13-14H2,1H3;2*1H