N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C21H23ClFN3O MolecularWeight: 387.878223

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN(C=C4)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN(C=C4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C21H23ClFN3O/c22-17-2-1-3-18(23)16(17)12-26-5-4-19(25-26)24-20(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25,27)