2-(4-chlorophenyl)carbonyl-6-(4-phenylpiperazin-1-yl)cyclohexan-1-one hydrochloride

Systemtic Name: 2-(4-chlorophenyl)carbonyl-6-(4-phenylpiperazin-1-yl)cyclohexan-1-one hydrochloride Openeye Name: 2-(4-chlorobenzoyl)-6-(4-phenylpiperazin-1-yl)cyclohexanone hydrochloride CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-6-(4-phenyl-1-piperazinyl)-1-cyclohexanone hydrochloride IUPAC Name: 2-(4-chlorobenzoyl)-6-(4-phenylpiperazin-1-yl)cyclohexan-1-one hydrochloride Traditional Name: 2-(4-chlorobenzoyl)-6-(4-phenylpiperazino)cyclohexanone hydrochloride Formula: C23H26Cl2N2O2 MolecularWeight: 433.37074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl.Cl

Isomeric SMILES

C1CC(C(=O)C(C1)N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl.Cl

InChI

InChI=1S/C23H25ClN2O2.ClH/c24-18-11-9-17(10-12-18)22(27)20-7-4-8-21(23(20)28)26-15-13-25(14-16-26)19-5-2-1-3-6-19;/h1-3,5-6,9-12,20-21H,4,7-8,13-16H2;1H