1-(4-cycloheptylpiperazin-1-yl)-2-[3-(phenylcarbonyl)phenyl]propan-1-one hydrochloride

Systemtic Name: 1-(4-cycloheptylpiperazin-1-yl)-2-[3-(phenylcarbonyl)phenyl]propan-1-one hydrochloride Openeye Name: 2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazin-1-yl)propan-1-one hydrochloride CAS Name: 2-(3-benzoylphenyl)-1-(4-cycloheptyl-1-piperazinyl)-1-propanone hydrochloride IUPAC Name: 2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazin-1-yl)propan-1-one hydrochloride Traditional Name: 2-(3-benzoylphenyl)-1-(4-cycloheptylpiperazino)propan-1-one hydrochloride Formula: C27H35ClN2O2 MolecularWeight: 455.032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCCC4.Cl

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCCC4.Cl

InChI

InChI=1S/C27H34N2O2.ClH/c1-21(23-12-9-13-24(20-23)26(30)22-10-5-4-6-11-22)27(31)29-18-16-28(17-19-29)25-14-7-2-3-8-15-25;/h4-6,9-13,20-21,25H,2-3,7-8,14-19H2,1H3;1H