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

Systemtic Name: [2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-(2-methylquinolin-5-yl)methanone Openeye Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-1-piperidyl]-(2-methyl-5-quinolyl)methanone CAS Name: [2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-3,3-dimethyl-1-piperidinyl]-(2-methyl-5-quinolinyl)methanone IUPAC Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethylpiperidin-1-yl]-(2-methylquinolin-5-yl)methanone Traditional Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidino]-(2-methyl-5-quinolyl)methanone Formula: C23H26BrN5O MolecularWeight: 468.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC(=C2C=C1)C(=O)N3CCCC(C3CNC4=NC=C(C=N4)Br)(C)C

Isomeric SMILES

CC1=NC2=CC=CC(=C2C=C1)C(=O)N3CCCC(C3CNC4=NC=C(C=N4)Br)(C)C

InChI

InChI=1S/C23H26BrN5O/c1-15-8-9-17-18(6-4-7-19(17)28-15)21(30)29-11-5-10-23(2,3)20(29)14-27-22-25-12-16(24)13-26-22/h4,6-9,12-13,20H,5,10-11,14H2,1-3H3,(H,25,26,27)