2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C19H23BrFNO MolecularWeight: 380.294423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)F

InChI

InChI=1S/C19H23BrFNO/c1-12-2-3-15(5-16(12)21)22-17(23)10-18-6-13-4-14(7-18)9-19(20,8-13)11-18/h2-3,5,13-14H,4,6-11H2,1H3,(H,22,23)/t13-,14+,18?,19?