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

Systemtic Name: 7-oxidanyl-4-phenyl-8-[(pyridin-3-ylmethylamino)methyl]chromen-2-one dihydrochloride Openeye Name: 7-hydroxy-4-phenyl-8-[(3-pyridylmethylamino)methyl]chromen-2-one dihydrochloride CAS Name: 7-hydroxy-4-phenyl-8-[(3-pyridinylmethylamino)methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 7-hydroxy-4-phenyl-8-[(pyridin-3-ylmethylamino)methyl]chromen-2-one dihydrochloride Traditional Name: 7-hydroxy-4-phenyl-8-[(3-pyridylmethylamino)methyl]coumarin dihydrochloride Formula: C22H20Cl2N2O3 MolecularWeight: 431.3118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3.2ClH/c25-20-9-8-17-18(16-6-2-1-3-7-16)11-21(26)27-22(17)19(20)14-24-13-15-5-4-10-23-12-15;;/h1-12,24-25H,13-14H2;2*1H