[2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-5,5-dimethyl-piperidin-1-yl]-quinolin-8-yl-methanone

Systemtic Name: [2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-5,5-dimethyl-piperidin-1-yl]-quinolin-8-yl-methanone Openeye Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-5,5-dimethyl-1-piperidyl]-(8-quinolyl)methanone CAS Name: [2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-5,5-dimethyl-1-piperidinyl]-(8-quinolinyl)methanone IUPAC Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-5,5-dimethylpiperidin-1-yl]-quinolin-8-ylmethanone Traditional Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-5,5-dimethyl-piperidino]-(8-quinolyl)methanone Formula: C22H24BrN5O MolecularWeight: 454.36286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N(C1)C(=O)C2=CC=CC3=C2N=CC=C3)CNC4=NC=C(C=N4)Br)C

Isomeric SMILES

CC1(CCC(N(C1)C(=O)C2=CC=CC3=C2N=CC=C3)CNC4=NC=C(C=N4)Br)C

InChI

InChI=1S/C22H24BrN5O/c1-22(2)9-8-17(13-27-21-25-11-16(23)12-26-21)28(14-22)20(29)18-7-3-5-15-6-4-10-24-19(15)18/h3-7,10-12,17H,8-9,13-14H2,1-2H3,(H,25,26,27)