2,6-ditert-butyl-4-[(4-chlorophenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(4-chlorophenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperazin-1-yl)-(4-chlorophenyl)methyl]-2,6-ditert-butyl-phenol CAS Name: 2,6-ditert-butyl-4-[(4-chlorophenyl)-[4-(phenylmethyl)-1-piperazinyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperazin-1-yl)-(4-chlorophenyl)methyl]-2,6-ditert-butylphenol Traditional Name: 4-[(4-benzylpiperazino)-(4-chlorophenyl)methyl]-2,6-ditert-butyl-phenol Formula: C32H41ClN2O MolecularWeight: 505.13374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C32H41ClN2O/c1-31(2,3)27-20-25(21-28(30(27)36)32(4,5)6)29(24-12-14-26(33)15-13-24)35-18-16-34(17-19-35)22-23-10-8-7-9-11-23/h7-15,20-21,29,36H,16-19,22H2,1-6H3