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

Systemtic Name: [2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-quinolin-3-yl-methanone Openeye Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-1-piperidyl]-(3-quinolyl)methanone CAS Name: [2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-3,3-dimethyl-1-piperidinyl]-(3-quinolinyl)methanone IUPAC Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethylpiperidin-1-yl]-quinolin-3-ylmethanone Traditional Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidino]-(3-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=CC4=CC=CC=C4N=C3)C

Isomeric SMILES

CC1(CCCN(C1CNC2=NC=C(C=N2)Br)C(=O)C3=CC4=CC=CC=C4N=C3)C

InChI

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