N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: [5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[1-(2-pyrimidyl)-3-piperidyl]amine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C=NN2)CNC3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C=NN2)CNC3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6/c1-15-6-7-16(2)19(11-15)20-17(13-25-26-20)12-24-18-5-3-10-27(14-18)21-22-8-4-9-23-21/h4,6-9,11,13,18,24H,3,5,10,12,14H2,1-2H3,(H,25,26)