6-chloranyl-4-methyl-8-[(3-morpholin-4-ylpropylamino)methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one dihydrochloride

Systemtic Name: 6-chloranyl-4-methyl-8-[(3-morpholin-4-ylpropylamino)methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one dihydrochloride Openeye Name: 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(3-morpholinopropylamino)methyl]chromen-2-one dihydrochloride CAS Name: 6-chloro-7-hydroxy-4-methyl-8-[[3-(4-morpholinyl)propylamino]methyl]-3-(phenylmethyl)-1-benzopyran-2-one dihydrochloride IUPAC Name: 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(3-morpholin-4-ylpropylamino)methyl]chromen-2-one dihydrochloride Traditional Name: 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(3-morpholinopropylamino)methyl]coumarin dihydrochloride Formula: C25H31Cl3N2O4 MolecularWeight: 529.88364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCCN3CCOCC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCCCN3CCOCC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H29ClN2O4.2ClH/c1-17-19-15-22(26)23(29)21(16-27-8-5-9-28-10-12-31-13-11-28)24(19)32-25(30)20(17)14-18-6-3-2-4-7-18;;/h2-4,6-7,15,27,29H,5,8-14,16H2,1H3;2*1H