2-[4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[4-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]butyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]butyl]piperazino]pyrimidine Formula: C17H23F3N6 MolecularWeight: 368.39993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(F)(F)F)CCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=NN(C(=C1)C(F)(F)F)CCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H23F3N6/c1-14-13-15(17(18,19)20)26(23-14)8-3-2-7-24-9-11-25(12-10-24)16-21-5-4-6-22-16/h4-6,13H,2-3,7-12H2,1H3