4-[2-(3-fluorophenyl)-3-(phenylmethyl)piperazin-2-yl]pyrimidine

Systemtic Name: 4-[2-(3-fluorophenyl)-3-(phenylmethyl)piperazin-2-yl]pyrimidine Openeye Name: 4-[3-benzyl-2-(3-fluorophenyl)piperazin-2-yl]pyrimidine CAS Name: 4-[2-(3-fluorophenyl)-3-(phenylmethyl)-2-piperazinyl]pyrimidine IUPAC Name: 4-[3-benzyl-2-(3-fluorophenyl)piperazin-2-yl]pyrimidine Traditional Name: 4-[3-benzyl-2-(3-fluorophenyl)piperazin-2-yl]pyrimidine Formula: C21H21FN4 MolecularWeight: 348.416643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C(N1)CC2=CC=CC=C2)(C3=CC(=CC=C3)F)C4=NC=NC=C4

Isomeric SMILES

C1CNC(C(N1)CC2=CC=CC=C2)(C3=CC(=CC=C3)F)C4=NC=NC=C4

InChI

InChI=1S/C21H21FN4/c22-18-8-4-7-17(14-18)21(19-9-10-23-15-25-19)20(24-11-12-26-21)13-16-5-2-1-3-6-16/h1-10,14-15,20,24,26H,11-13H2