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

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-4-(3-fluoranyl-4-methoxy-phenyl)butane-1,4-dione hydrochloride Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-4-(3-fluoro-4-methoxy-phenyl)butane-1,4-dione hydrochloride CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione hydrochloride Traditional Name: 1-(4-cyclohexylpiperazino)-4-(3-fluoro-4-methoxy-phenyl)butane-1,4-dione hydrochloride Formula: C21H30ClFN2O3 MolecularWeight: 412.925903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCCC3)F.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCCC3)F.Cl

InChI

InChI=1S/C21H29FN2O3.ClH/c1-27-20-9-7-16(15-18(20)22)19(25)8-10-21(26)24-13-11-23(12-14-24)17-5-3-2-4-6-17;/h7,9,15,17H,2-6,8,10-14H2,1H3;1H