(3R)-3-azanyl-4-[3,4-bis(fluoranyl)phenyl]-1-[(2R)-2-(4-fluorophenyl)-4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: (3R)-3-azanyl-4-[3,4-bis(fluoranyl)phenyl]-1-[(2R)-2-(4-fluorophenyl)-4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: (3R)-3-amino-1-[(2R)-4-benzyl-2-(4-fluorophenyl)piperazin-1-yl]-4-(3,4-difluorophenyl)butan-1-one CAS Name: (3R)-3-amino-4-(3,4-difluorophenyl)-1-[(2R)-2-(4-fluorophenyl)-4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: (3R)-3-amino-1-[(2R)-4-benzyl-2-(4-fluorophenyl)piperazin-1-yl]-4-(3,4-difluorophenyl)butan-1-one Traditional Name: (3R)-3-amino-1-[(2R)-4-benzyl-2-(4-fluorophenyl)piperazino]-4-(3,4-difluorophenyl)butan-1-one Formula: C27H28F3N3O MolecularWeight: 467.52593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)CC(CC4=CC(=C(C=C4)F)F)N

Isomeric SMILES

C1CN([C@@H](CN1CC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)C[C@@H](CC4=CC(=C(C=C4)F)F)N

InChI

InChI=1S/C27H28F3N3O/c28-22-9-7-21(8-10-22)26-18-32(17-19-4-2-1-3-5-19)12-13-33(26)27(34)16-23(31)14-20-6-11-24(29)25(30)15-20/h1-11,15,23,26H,12-14,16-18,31H2/t23-,26+/m1/s1