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

Systemtic Name: (3R)-3-azanyl-4-(2-fluorophenyl)-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-(2-fluorophenyl)butan-1-one CAS Name: (3R)-3-amino-4-(2-fluorophenyl)-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-(2-fluorophenyl)butan-1-one Traditional Name: (3R)-3-amino-1-[(2R)-4-benzyl-2-(4-fluorophenyl)piperazino]-4-(2-fluorophenyl)butan-1-one Formula: C27H29F2N3O MolecularWeight: 449.535466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)CC(CC4=CC=CC=C4F)N

Isomeric SMILES

C1CN([C@@H](CN1CC2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)C[C@@H](CC4=CC=CC=C4F)N

InChI

InChI=1S/C27H29F2N3O/c28-23-12-10-21(11-13-23)26-19-31(18-20-6-2-1-3-7-20)14-15-32(26)27(33)17-24(30)16-22-8-4-5-9-25(22)29/h1-13,24,26H,14-19,30H2/t24-,26+/m1/s1