4-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[(5S,7R)-3-bromo-1-adamantyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N-methyl-benzamide Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O2/c1-22-18(25)15-2-4-16(5-3-15)23-17(24)11-19-7-13-6-14(8-19)10-20(21,9-13)12-19/h2-5,13-14H,6-12H2,1H3,(H,22,25)(H,23,24)/t13-,14+,19?,20?