1-[4-azanyl-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]ethanone

Systemtic Name: 1-[4-azanyl-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]ethanone Openeye Name: 1-[4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]ethanone CAS Name: 1-[4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]ethanone IUPAC Name: 1-[4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]ethanone Traditional Name: 1-[4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]ethanone Formula: C20H17NO MolecularWeight: 297.416698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)C2=CC=CC=C2)N)C3=CC=CC=C3

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=CC(=CC(=C2N)C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])C(=O)C)[2H])[2H]

InChI

InChI=1S/C20H17NO/c1-14(22)17-12-18(15-8-4-2-5-9-15)20(21)19(13-17)16-10-6-3-7-11-16/h2-13H,21H2,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D