N-(4-cyanophenyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-cyanophenyl)-4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[5-(3-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C25H25FN6O MolecularWeight: 444.504003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C#N)CC4=CC(=CC=C4)F

InChI

InChI=1S/C25H25FN6O/c1-17-23(15-20-4-3-5-21(26)14-20)24(29-18(2)28-17)31-10-12-32(13-11-31)25(33)30-22-8-6-19(16-27)7-9-22/h3-9,14H,10-13,15H2,1-2H3,(H,30,33)