7-[3-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-propoxy]-8-methyl-4-phenyl-chromen-2-one hydrochloride

Systemtic Name: 7-[3-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-propoxy]-8-methyl-4-phenyl-chromen-2-one hydrochloride Openeye Name: 7-[3-(4-acetylpiperazin-1-yl)-2-hydroxy-propoxy]-8-methyl-4-phenyl-chromen-2-one hydrochloride CAS Name: 7-[3-(4-acetyl-1-piperazinyl)-2-hydroxypropoxy]-8-methyl-4-phenyl-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropoxy]-8-methyl-4-phenylchromen-2-one hydrochloride Traditional Name: 7-[3-(4-acetylpiperazino)-2-hydroxy-propoxy]-8-methyl-4-phenyl-coumarin hydrochloride Formula: C25H29ClN2O5 MolecularWeight: 472.96116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(CN4CCN(CC4)C(=O)C)O.Cl

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(CN4CCN(CC4)C(=O)C)O.Cl

InChI

InChI=1S/C25H28N2O5.ClH/c1-17-23(31-16-20(29)15-26-10-12-27(13-11-26)18(2)28)9-8-21-22(14-24(30)32-25(17)21)19-6-4-3-5-7-19;/h3-9,14,20,29H,10-13,15-16H2,1-2H3;1H