2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(2-methyl-5-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-N-(2-methyl-5-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(2-methyl-5-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-[6-(3-bromoanilino)-4-pyrimidinyl]-1-piperazinyl]-N-(2-methyl-5-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]-N-(2-methyl-5-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazino]-N-(2-methyl-5-phenyl-pyrazol-3-yl)acetamide Formula: C26H27BrN8O MolecularWeight: 547.44958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC(=NC=N4)NC5=CC(=CC=C5)Br

InChI

InChI=1S/C26H27BrN8O/c1-33-25(15-22(32-33)19-6-3-2-4-7-19)31-26(36)17-34-10-12-35(13-11-34)24-16-23(28-18-29-24)30-21-9-5-8-20(27)14-21/h2-9,14-16,18H,10-13,17H2,1H3,(H,31,36)(H,28,29,30)