3-acetamido-N-[2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]ethyl]adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-[2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]ethyl]adamantane-1-carboxamide Openeye Name: 3-acetamido-N-[2-[(3-fluoro-4-methyl-benzoyl)amino]ethyl]adamantane-1-carboxamide CAS Name: 3-acetamido-N-[2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]ethyl]-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]adamantane-1-carboxamide Traditional Name: 3-acetamido-N-[2-[(3-fluoro-4-methyl-benzoyl)amino]ethyl]adamantane-1-carboxamide Formula: C23H30FN3O3 MolecularWeight: 415.501003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)F

InChI

InChI=1S/C23H30FN3O3/c1-14-3-4-18(8-19(14)24)20(29)25-5-6-26-21(30)22-9-16-7-17(10-22)12-23(11-16,13-22)27-15(2)28/h3-4,8,16-17H,5-7,9-13H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)