1-[3-(phenylcarbonyl)phenyl]propan-1-one; 1-(phenylmethyl)piperazine; hydrochloride

Systemtic Name: 1-[3-(phenylcarbonyl)phenyl]propan-1-one; 1-(phenylmethyl)piperazine; hydrochloride Openeye Name: 1-(3-benzoylphenyl)propan-1-one; 1-benzylpiperazine; hydrochloride CAS Name: 1-(3-benzoylphenyl)-1-propanone; 1-(phenylmethyl)piperazine; hydrochloride IUPAC Name: 1-(3-benzoylphenyl)propan-1-one; 1-benzylpiperazine; hydrochloride Traditional Name: 1-(3-benzoylphenyl)propan-1-one; 1-benzylpiperazine; hydrochloride Formula: C27H31ClN2O2 MolecularWeight: 451.00024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2.C1CN(CCN1)CC2=CC=CC=C2.Cl

Isomeric SMILES

CCC(=O)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2.C1CN(CCN1)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C16H14O2.C11H16N2.ClH/c1-2-15(17)13-9-6-10-14(11-13)16(18)12-7-4-3-5-8-12;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;/h3-11H,2H2,1H3;1-5,12H,6-10H2;1H