1-(3-chloranyl-4-methoxy-phenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride CAS Name: 1-(3-chloro-4-methoxyphenyl)-4-(4-cyclopentyl-1-piperazinyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-4-(4-cyclopentylpiperazin-1-yl)butane-1,4-dione hydrochloride Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-4-(4-cyclopentylpiperazino)butane-1,4-dione hydrochloride Formula: C20H28Cl2N2O3 MolecularWeight: 415.35392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCC3)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3CCCC3)Cl.Cl

InChI

InChI=1S/C20H27ClN2O3.ClH/c1-26-19-8-6-15(14-17(19)21)18(24)7-9-20(25)23-12-10-22(11-13-23)16-4-2-3-5-16;/h6,8,14,16H,2-5,7,9-13H2,1H3;1H