N-[3-[(3-fluorophenyl)carbonylamino]-1-adamantyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[(3-fluorophenyl)carbonylamino]-1-adamantyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[3-[[(3-fluorophenyl)-oxomethyl]amino]-1-adamantyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[3-[(3-fluorobenzoyl)amino]-1-adamantyl]-1-methyl-pyrazole-3-carboxamide Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC(=CC=C5)F

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C22H25FN4O2/c1-27-6-5-18(26-27)20(29)25-22-11-14-7-15(12-22)10-21(9-14,13-22)24-19(28)16-3-2-4-17(23)8-16/h2-6,8,14-15H,7,9-13H2,1H3,(H,24,28)(H,25,29)