3-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-N-ethyl-benzamide

Systemtic Name: 3-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-[(5S,7R)-3-bromo-1-adamantyl]-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N-ethyl-benzamide Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O2/c1-2-23-19(26)16-4-3-5-17(7-16)24-18(25)12-20-8-14-6-15(9-20)11-21(22,10-14)13-20/h3-5,7,14-15H,2,6,8-13H2,1H3,(H,23,26)(H,24,25)/t14-,15+,20?,21?