N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: N-[[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: [3-(3,5-dimethylpyrazol-1-yl)benzyl]-[1-(2-pyrimidyl)-3-piperidyl]amine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)CNC3CCCN(C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)CNC3CCCN(C3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H26N6/c1-16-12-17(2)27(25-16)20-8-3-6-18(13-20)14-24-19-7-4-11-26(15-19)21-22-9-5-10-23-21/h3,5-6,8-10,12-13,19,24H,4,7,11,14-15H2,1-2H3