1-[4-[(4-bromophenyl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-cyclohexyl-ethanone

Systemtic Name: 1-[4-[(4-bromophenyl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-cyclohexyl-ethanone Openeye Name: 1-[4-[(4-bromophenyl)-phenyl-methyl]-2-tert-butyl-piperazin-1-yl]-2-cyclohexyl-ethanone CAS Name: 1-[4-[(4-bromophenyl)-phenylmethyl]-2-tert-butyl-1-piperazinyl]-2-cyclohexylethanone IUPAC Name: 1-[4-[(4-bromophenyl)-phenylmethyl]-2-tert-butylpiperazin-1-yl]-2-cyclohexylethanone Traditional Name: 1-[4-[(4-bromophenyl)-phenyl-methyl]-2-tert-butyl-piperazino]-2-cyclohexyl-ethanone Formula: C29H39BrN2O MolecularWeight: 511.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)CC2CCCCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)CC2CCCCC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H39BrN2O/c1-29(2,3)26-21-31(18-19-32(26)27(33)20-22-10-6-4-7-11-22)28(23-12-8-5-9-13-23)24-14-16-25(30)17-15-24/h5,8-9,12-17,22,26,28H,4,6-7,10-11,18-21H2,1-3H3