N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-(1-pyrazolyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Formula: C18H17ClFN7O MolecularWeight: 401.825283

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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)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN7O/c19-14-10-13(2-3-15(14)20)24-18(28)26-8-6-25(7-9-26)16-11-17(22-12-21-16)27-5-1-4-23-27/h1-5,10-12H,6-9H2,(H,24,28)