1-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride

Systemtic Name: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride Openeye Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-4-(4-cyclopentyl-1-piperazinyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-4-(4-cyclopentylpiperazino)butane-1,4-dione hydrochloride Formula: C21H30Cl2N2O4 MolecularWeight: 445.3799

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CCC(=O)N2CCN(CC2)C3CCCC3)Cl)OC.Cl

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CCC(=O)N2CCN(CC2)C3CCCC3)Cl)OC.Cl

InChI

InChI=1S/C21H29ClN2O4.ClH/c1-27-19-14-20(28-2)17(22)13-16(19)18(25)7-8-21(26)24-11-9-23(10-12-24)15-5-3-4-6-15;/h13-15H,3-12H2,1-2H3;1H