N-[(1S)-1-(azepan-1-yl)-2,2,2-tris(chloranyl)ethyl]-2-methyl-propanamide

Systemtic Name: N-[(1S)-1-(azepan-1-yl)-2,2,2-tris(chloranyl)ethyl]-2-methyl-propanamide Openeye Name: N-[(1S)-1-(azepan-1-yl)-2,2,2-trichloro-ethyl]-2-methyl-propanamide CAS Name: N-[(1S)-1-(1-azepanyl)-2,2,2-trichloroethyl]-2-methylpropanamide IUPAC Name: N-[(1S)-1-(azepan-1-yl)-2,2,2-trichloroethyl]-2-methylpropanamide Traditional Name: N-[(1S)-1-(azepan-1-yl)-2,2,2-trichloro-ethyl]-2-methyl-propionamide Formula: C12H21Cl3N2O MolecularWeight: 315.66694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(Cl)(Cl)Cl)N1CCCCCC1

Isomeric SMILES

CC(C)C(=O)N[C@H](C(Cl)(Cl)Cl)N1CCCCCC1

InChI

InChI=1S/C12H21Cl3N2O/c1-9(2)10(18)16-11(12(13,14)15)17-7-5-3-4-6-8-17/h9,11H,3-8H2,1-2H3,(H,16,18)/t11-/m0/s1