6-chloranyl-5,7-dimethyl-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-2-one dihydrochloride

Systemtic Name: 6-chloranyl-5,7-dimethyl-4-[[4-(phenylmethyl)piperazin-1-yl]methyl]chromen-2-one dihydrochloride Openeye Name: 4-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-5,7-dimethyl-chromen-2-one dihydrochloride CAS Name: 6-chloro-5,7-dimethyl-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 4-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-5,7-dimethylchromen-2-one dihydrochloride Traditional Name: 4-[(4-benzylpiperazino)methyl]-6-chloro-5,7-dimethyl-coumarin dihydrochloride Formula: C23H27Cl3N2O2 MolecularWeight: 469.83168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H25ClN2O2.2ClH/c1-16-12-20-22(17(2)23(16)24)19(13-21(27)28-20)15-26-10-8-25(9-11-26)14-18-6-4-3-5-7-18;;/h3-7,12-13H,8-11,14-15H2,1-2H3;2*1H