7-[[2-[(3-chlorophenyl)amino]ethylamino]methyl]chromen-2-one dihydrochloride

Systemtic Name: 7-[[2-[(3-chlorophenyl)amino]ethylamino]methyl]chromen-2-one dihydrochloride Openeye Name: 7-[[2-(3-chloroanilino)ethylamino]methyl]chromen-2-one dihydrochloride CAS Name: 7-[[2-(3-chloroanilino)ethylamino]methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 7-[[2-(3-chloroanilino)ethylamino]methyl]chromen-2-one dihydrochloride Traditional Name: 7-[[2-(3-chloroanilino)ethylamino]methyl]coumarin dihydrochloride Formula: C18H19Cl3N2O2 MolecularWeight: 401.71466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NCCNCC2=CC3=C(C=C2)C=CC(=O)O3.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NCCNCC2=CC3=C(C=C2)C=CC(=O)O3.Cl.Cl

InChI

InChI=1S/C18H17ClN2O2.2ClH/c19-15-2-1-3-16(11-15)21-9-8-20-12-13-4-5-14-6-7-18(22)23-17(14)10-13;;/h1-7,10-11,20-21H,8-9,12H2;2*1H