N-[(1R)-1-(1-adamantyl)ethyl]-5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxamide Formula: C23H27ClFN3O MolecularWeight: 415.931383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC(C)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H27ClFN3O/c1-13-20(21(24)28(27-13)19-5-3-18(25)4-6-19)22(29)26-14(2)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,14-17H,7-12H2,1-2H3,(H,26,29)/t14-,15?,16?,17?,23?/m1/s1