4-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanyl-1-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanyl-1-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Openeye Name: 1-[4-(1-ethylpropyl)piperazin-1-yl]-4-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-butane-1,4-dione hydrochloride CAS Name: 4-(3-fluoro-4-methoxyphenyl)-2-hydroxy-1-(4-pentan-3-yl-1-piperazinyl)butane-1,4-dione hydrochloride IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-2-hydroxy-1-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Traditional Name: 1-[4-(1-ethylpropyl)piperazino]-4-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-butane-1,4-dione hydrochloride Formula: C20H30ClFN2O4 MolecularWeight: 416.914603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)C(CC(=O)C2=CC(=C(C=C2)OC)F)O.Cl

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)C(CC(=O)C2=CC(=C(C=C2)OC)F)O.Cl

InChI

InChI=1S/C20H29FN2O4.ClH/c1-4-15(5-2)22-8-10-23(11-9-22)20(26)18(25)13-17(24)14-6-7-19(27-3)16(21)12-14;/h6-7,12,15,18,25H,4-5,8-11,13H2,1-3H3;1H