[2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-quinolin-2-yl-methanone Openeye Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-1-piperidyl]-(2-quinolyl)methanone CAS Name: [2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-3,3-dimethyl-1-piperidinyl]-(2-quinolinyl)methanone IUPAC Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone Traditional Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidino]-(2-quinolyl)methanone Formula: C22H24BrN5O MolecularWeight: 454.36286

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1CNC2=NC=C(C=N2)Br)C(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1(CCCN(C1CNC2=NC=C(C=N2)Br)C(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

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