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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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