N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-methyl-6-phenoxy-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-methyl-6-phenoxy-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-methyl-6-phenoxy-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-methyl-6-phenoxy-4-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-methyl-6-phenoxy-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C22H21ClFN5O2 MolecularWeight: 441.885843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=NC(=CC(=N1)OC2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN5O2/c1-15-25-20(14-21(26-15)31-17-5-3-2-4-6-17)28-9-11-29(12-10-28)22(30)27-16-7-8-19(24)18(23)13-16/h2-8,13-14H,9-12H2,1H3,(H,27,30)