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

Systemtic Name: [2-[[(5-bromanylpyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone Openeye Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-1-piperidyl]-(3-pyrazol-1-ylphenyl)methanone CAS Name: [2-[[(5-bromo-2-pyrimidinyl)amino]methyl]-3,3-dimethyl-1-piperidinyl]-[3-(1-pyrazolyl)phenyl]methanone IUPAC Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethylpiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone Traditional Name: [2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3,3-dimethyl-piperidino]-(3-pyrazol-1-ylphenyl)methanone Formula: C22H25BrN6O MolecularWeight: 469.3775

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1CNC2=NC=C(C=N2)Br)C(=O)C3=CC(=CC=C3)N4C=CC=N4)C

Isomeric SMILES

CC1(CCCN(C1CNC2=NC=C(C=N2)Br)C(=O)C3=CC(=CC=C3)N4C=CC=N4)C

InChI

InChI=1S/C22H25BrN6O/c1-22(2)8-4-10-28(19(22)15-26-21-24-13-17(23)14-25-21)20(30)16-6-3-7-18(12-16)29-11-5-9-27-29/h3,5-7,9,11-14,19H,4,8,10,15H2,1-2H3,(H,24,25,26)