8-[(3-imidazol-1-ylpropylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one trihydrochloride

Systemtic Name: 8-[(3-imidazol-1-ylpropylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one trihydrochloride Openeye Name: 3-benzyl-7-hydroxy-8-[(3-imidazol-1-ylpropylamino)methyl]-4-methyl-chromen-2-one trihydrochloride CAS Name: 7-hydroxy-8-[[3-(1-imidazolyl)propylamino]methyl]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one trihydrochloride IUPAC Name: 3-benzyl-7-hydroxy-8-[(3-imidazol-1-ylpropylamino)methyl]-4-methylchromen-2-one trihydrochloride Traditional Name: 3-benzyl-7-hydroxy-8-[(3-imidazol-1-ylpropylamino)methyl]-4-methyl-coumarin trihydrochloride Formula: C24H28Cl3N3O3 MolecularWeight: 512.85642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNCCCN3C=CN=C3)O)CC4=CC=CC=C4.Cl.Cl.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNCCCN3C=CN=C3)O)CC4=CC=CC=C4.Cl.Cl.Cl

InChI

InChI=1S/C24H25N3O3.3ClH/c1-17-19-8-9-22(28)21(15-25-10-5-12-27-13-11-26-16-27)23(19)30-24(29)20(17)14-18-6-3-2-4-7-18;;;/h2-4,6-9,11,13,16,25,28H,5,10,12,14-15H2,1H3;3*1H