2-(3-chlorophenyl)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)ethanone

Systemtic Name: 2-(3-chlorophenyl)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)ethanone Openeye Name: 2-(3-chlorophenyl)-1-(2,4,5,6-tetradeuterio-3-pyridyl)ethanone CAS Name: 2-(3-chlorophenyl)-1-(2,4,5,6-tetradeuterio-3-pyridinyl)ethanone IUPAC Name: 2-(3-chlorophenyl)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)ethanone Traditional Name: 2-(3-chlorophenyl)-1-(2,4,5,6-tetradeuterio-3-pyridyl)ethanone Formula: C13H10ClNO MolecularWeight: 235.702247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CC(=O)C2=CN=CC=C2

Isomeric SMILES

[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)CC2=CC(=CC=C2)Cl)[2H]

InChI

InChI=1S/C13H10ClNO/c14-12-5-1-3-10(7-12)8-13(16)11-4-2-6-15-9-11/h1-7,9H,8H2/i2D,4D,6D,9D