(3R)-3-azanyl-4-(2-fluorophenyl)-1-[(2R)-2-(phenylmethyl)piperazin-1-yl]butan-1-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3R)-3-azanyl-4-(2-fluorophenyl)-1-[(2R)-2-(phenylmethyl)piperazin-1-yl]butan-1-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3R)-3-amino-1-[(2R)-2-benzylpiperazin-1-yl]-4-(2-fluorophenyl)butan-1-one; 2,2,2-trifluoroacetic acid CAS Name: (3R)-3-amino-4-(2-fluorophenyl)-1-[(2R)-2-(phenylmethyl)-1-piperazinyl]-1-butanone; 2,2,2-trifluoroacetic acid IUPAC Name: (3R)-3-amino-1-[(2R)-2-benzylpiperazin-1-yl]-4-(2-fluorophenyl)butan-1-one; 2,2,2-trifluoroacetic acid Traditional Name: (3R)-3-amino-1-[(2R)-2-benzylpiperazino]-4-(2-fluorophenyl)butan-1-one; 2,2,2-trifluoroacetic acid Formula: C25H28F7N3O5 MolecularWeight: 583.495742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC2=CC=CC=C2)C(=O)CC(CC3=CC=CC=C3F)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN([C@@H](CN1)CC2=CC=CC=C2)C(=O)C[C@@H](CC3=CC=CC=C3F)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H26FN3O.2C2HF3O2/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16;2*3-2(4,5)1(6)7/h1-9,18-19,24H,10-15,23H2;2*(H,6,7)/t18-,19-;;/m1../s1