3-(4-fluorophenyl)-2-methyl-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-4-one hydrochloride

Systemtic Name: 3-(4-fluorophenyl)-2-methyl-7-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]chromen-4-one hydrochloride Openeye Name: 3-(4-fluorophenyl)-7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-2-methyl-chromen-4-one hydrochloride CAS Name: 3-(4-fluorophenyl)-7-[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]-2-methyl-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(4-fluorophenyl)-7-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-2-methylchromen-4-one hydrochloride Traditional Name: 3-(4-fluorophenyl)-7-[2-hydroxy-3-(4-methylpiperazino)propoxy]-2-methyl-chromone hydrochloride Formula: C24H28ClFN2O4 MolecularWeight: 462.941523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(CN3CCN(CC3)C)O)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(CN3CCN(CC3)C)O)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C24H27FN2O4.ClH/c1-16-23(17-3-5-18(25)6-4-17)24(29)21-8-7-20(13-22(21)31-16)30-15-19(28)14-27-11-9-26(2)10-12-27;/h3-8,13,19,28H,9-12,14-15H2,1-2H3;1H