2-[2-azanyl-3-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-pyrimidin-5-yl-piperidin-4-yl]ethanamide

Systemtic Name: 2-[2-azanyl-3-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-pyrimidin-5-yl-piperidin-4-yl]ethanamide Openeye Name: 2-[2-amino-1-benzyl-3-[(4-fluorophenyl)methyl]-2-pyrimidin-5-yl-4-piperidyl]acetamide CAS Name: 2-[2-amino-3-[(4-fluorophenyl)methyl]-1-(phenylmethyl)-2-(5-pyrimidinyl)-4-piperidinyl]acetamide IUPAC Name: 2-[2-amino-1-benzyl-3-[(4-fluorophenyl)methyl]-2-pyrimidin-5-ylpiperidin-4-yl]acetamide Traditional Name: 2-[2-amino-1-benzyl-3-(4-fluorobenzyl)-2-(5-pyrimidyl)-4-piperidyl]acetamide Formula: C25H28FN5O MolecularWeight: 433.521123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(C1CC(=O)N)CC2=CC=C(C=C2)F)(C3=CN=CN=C3)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(C1CC(=O)N)CC2=CC=C(C=C2)F)(C3=CN=CN=C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C25H28FN5O/c26-22-8-6-18(7-9-22)12-23-20(13-24(27)32)10-11-31(16-19-4-2-1-3-5-19)25(23,28)21-14-29-17-30-15-21/h1-9,14-15,17,20,23H,10-13,16,28H2,(H2,27,32)