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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(6-imidazol-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=CN=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=NC(=C2)N3C=CN=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

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