4-(3-chloranyl-4-cyclohexyl-phenyl)-1-(4-methylpiperazin-1-yl)butan-1-one hydrochloride

Systemtic Name: 4-(3-chloranyl-4-cyclohexyl-phenyl)-1-(4-methylpiperazin-1-yl)butan-1-one hydrochloride Openeye Name: 4-(3-chloro-4-cyclohexyl-phenyl)-1-(4-methylpiperazin-1-yl)butan-1-one hydrochloride CAS Name: 4-(3-chloro-4-cyclohexylphenyl)-1-(4-methyl-1-piperazinyl)-1-butanone hydrochloride IUPAC Name: 4-(3-chloro-4-cyclohexylphenyl)-1-(4-methylpiperazin-1-yl)butan-1-one hydrochloride Traditional Name: 4-(3-chloro-4-cyclohexyl-phenyl)-1-(4-methylpiperazino)butan-1-one hydrochloride Formula: C21H32Cl2N2O MolecularWeight: 399.39758

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCCC2=CC(=C(C=C2)C3CCCCC3)Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CCCC2=CC(=C(C=C2)C3CCCCC3)Cl.Cl

InChI

InChI=1S/C21H31ClN2O.ClH/c1-23-12-14-24(15-13-23)21(25)9-5-6-17-10-11-19(20(22)16-17)18-7-3-2-4-8-18;/h10-11,16,18H,2-9,12-15H2,1H3;1H