4-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(diphenylmethyl)-1-methyl-piperazine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)methyl]-2-(diphenylmethyl)-1-methyl-piperazine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-benzhydryl-4-[(5-bromo-2-methoxy-phenyl)methyl]-1-methyl-piperazine; 2,2,2-trifluoroacetic acid CAS Name: 4-[(5-bromo-2-methoxyphenyl)methyl]-2-(diphenylmethyl)-1-methylpiperazine; 2,2,2-trifluoroacetic acid IUPAC Name: 2-benzhydryl-4-[(5-bromo-2-methoxyphenyl)methyl]-1-methylpiperazine; 2,2,2-trifluoroacetic acid Traditional Name: 2-benzhydryl-4-(5-bromo-2-methoxy-benzyl)-1-methyl-piperazine; 2,2,2-trifluoroacetic acid Formula: C30H31BrF6N2O5 MolecularWeight: 693.471959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(C=CC(=C4)Br)OC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1CCN(CC1C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(C=CC(=C4)Br)OC.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H29BrN2O.2C2HF3O2/c1-28-15-16-29(18-22-17-23(27)13-14-25(22)30-2)19-24(28)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21;2*3-2(4,5)1(6)7/h3-14,17,24,26H,15-16,18-19H2,1-2H3;2*(H,6,7)