3-azanyl-N-[[4-(3-fluorophenyl)-1-pyrimidin-2-yl-piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[4-(3-fluorophenyl)-1-pyrimidin-2-yl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[4-(3-fluorophenyl)-1-pyrimidin-2-yl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[4-(3-fluorophenyl)-1-(2-pyrimidinyl)-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[4-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[4-(3-fluorophenyl)-1-(2-pyrimidyl)-4-piperidyl]methyl]pyrazinamide Formula: C21H22FN7O MolecularWeight: 407.444083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC(=CC=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C21H22FN7O/c22-16-4-1-3-15(13-16)21(14-28-19(30)17-18(23)25-10-9-24-17)5-11-29(12-6-21)20-26-7-2-8-27-20/h1-4,7-10,13H,5-6,11-12,14H2,(H2,23,25)(H,28,30)