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

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)-4-(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)butane-1,4-dione hydrochloride CAS Name: 1-(3-fluoro-4-methoxyphenyl)-4-(4-pentan-3-yl-1-piperazinyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)-4-(4-pentan-3-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Traditional Name: 1-[4-(1-ethylpropyl)piperazino]-4-(3-fluoro-4-methoxy-phenyl)butane-1,4-dione hydrochloride Formula: C20H30ClFN2O3 MolecularWeight: 400.915203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29FN2O3.ClH/c1-4-16(5-2)22-10-12-23(13-11-22)20(25)9-7-18(24)15-6-8-19(26-3)17(21)14-15;/h6,8,14,16H,4-5,7,9-13H2,1-3H3;1H