2-(2-butan-2-ylphenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(2-butan-2-ylphenoxy)-1-[4-(diphenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(2-sec-butylphenoxy)butan-1-one CAS Name: 2-(2-butan-2-ylphenoxy)-1-[4-(diphenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(2-butan-2-ylphenoxy)butan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-2-(2-sec-butylphenoxy)butan-1-one Formula: C31H38N2O2 MolecularWeight: 470.64562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(CC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H38N2O2/c1-4-24(3)27-18-12-13-19-29(27)35-28(5-2)31(34)33-22-20-32(21-23-33)30(25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-19,24,28,30H,4-5,20-23H2,1-3H3