N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]adamantane-1-carboxamide Formula: C23H27ClFN3O MolecularWeight: 415.931383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27ClFN3O/c1-13-21(14(2)28(27-13)12-18-19(24)4-3-5-20(18)25)26-22(29)23-9-15-6-16(10-23)8-17(7-15)11-23/h3-5,15-17H,6-12H2,1-2H3,(H,26,29)