[4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-tert-butylphenyl)methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(3-bromobenzyl)piperazino]-(4-tert-butylphenyl)methanone Formula: C22H27BrN2O MolecularWeight: 415.36658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H27BrN2O/c1-22(2,3)19-9-7-18(8-10-19)21(26)25-13-11-24(12-14-25)16-17-5-4-6-20(23)15-17/h4-10,15H,11-14,16H2,1-3H3