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

Systemtic Name: 1-(4-cycloheptylpiperazin-1-yl)-2-[3-(phenylmethyl)phenyl]propan-1-one Openeye Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-cycloheptyl-1-piperazinyl)-2-[3-(phenylmethyl)phenyl]-1-propanone IUPAC Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazin-1-yl)propan-1-one Traditional Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazino)propan-1-one Formula: C27H36N2O MolecularWeight: 404.58754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCCC4

Isomeric SMILES

CC(C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCCC4

InChI

InChI=1S/C27H36N2O/c1-22(25-13-9-12-24(21-25)20-23-10-5-4-6-11-23)27(30)29-18-16-28(17-19-29)26-14-7-2-3-8-15-26/h4-6,9-13,21-22,26H,2-3,7-8,14-20H2,1H3