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

Systemtic Name: [2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-(2-ethylquinolin-5-yl)methanone Openeye Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-1-piperidyl]-(2-ethyl-5-quinolyl)methanone CAS Name: [2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-3,3-dimethyl-1-piperidinyl]-(2-ethyl-5-quinolinyl)methanone IUPAC Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethylpiperidin-1-yl]-(2-ethylquinolin-5-yl)methanone Traditional Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidino]-(2-ethyl-5-quinolyl)methanone Formula: C24H28BrN5O MolecularWeight: 482.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC(=C2C=C1)C(=O)N3CCCC(C3CNC4=NC=C(C=N4)Br)(C)C

Isomeric SMILES

CCC1=NC2=CC=CC(=C2C=C1)C(=O)N3CCCC(C3CNC4=NC=C(C=N4)Br)(C)C

InChI

InChI=1S/C24H28BrN5O/c1-4-17-9-10-18-19(7-5-8-20(18)29-17)22(31)30-12-6-11-24(2,3)21(30)15-28-23-26-13-16(25)14-27-23/h5,7-10,13-14,21H,4,6,11-12,15H2,1-3H3,(H,26,27,28)