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

Systemtic Name: 6-chloranyl-7-oxidanyl-4-phenyl-8-[(pyridin-3-ylamino)methyl]chromen-2-one dihydrochloride Openeye Name: 6-chloro-7-hydroxy-4-phenyl-8-[(3-pyridylamino)methyl]chromen-2-one dihydrochloride CAS Name: 6-chloro-7-hydroxy-4-phenyl-8-[(3-pyridinylamino)methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 6-chloro-7-hydroxy-4-phenyl-8-[(pyridin-3-ylamino)methyl]chromen-2-one dihydrochloride Traditional Name: 6-chloro-7-hydroxy-4-phenyl-8-[(3-pyridylamino)methyl]coumarin dihydrochloride Formula: C21H17Cl3N2O3 MolecularWeight: 451.73028

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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)CNC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=C(C(=C(C=C23)Cl)O)CNC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C21H15ClN2O3.2ClH/c22-18-9-16-15(13-5-2-1-3-6-13)10-19(25)27-21(16)17(20(18)26)12-24-14-7-4-8-23-11-14;;/h1-11,24,26H,12H2;2*1H