N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[6-(1-pyrazolyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Formula: C19H17ClF3N7O MolecularWeight: 451.83279

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC(=C2)N3C=CC=N3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=NC(=C2)N3C=CC=N3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C19H17ClF3N7O/c20-15-3-2-13(10-14(15)19(21,22)23)27-18(31)29-8-6-28(7-9-29)16-11-17(25-12-24-16)30-5-1-4-26-30/h1-5,10-12H,6-9H2,(H,27,31)