3-[4-chloranyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-chloranyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H20ClF3N6O MolecularWeight: 428.83921

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NN2CCC(=O)N3CCN(CC3)C4=NC=CC=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CC1C2=C(C(=NN2CCC(=O)N3CCN(CC3)C4=NC=CC=N4)C(F)(F)F)Cl

InChI

InChI=1S/C18H20ClF3N6O/c19-14-15(12-2-3-12)28(25-16(14)18(20,21)22)7-4-13(29)26-8-10-27(11-9-26)17-23-5-1-6-24-17/h1,5-6,12H,2-4,7-11H2