N-(3,5-dimethylphenyl)-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[[5-(3-fluorophenyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide Traditional Name: N-(3,5-dimethylphenyl)-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide Formula: C25H21FN4O MolecularWeight: 412.458843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C25H21FN4O/c1-16-10-17(2)12-23(11-16)29-24(31)18-6-8-22(9-7-18)30-25-27-14-20(15-28-25)19-4-3-5-21(26)13-19/h3-15H,1-2H3,(H,29,31)(H,27,28,30)