(2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenyl-ethanone

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenyl-ethanone Openeye Name: (2S)-2-(benzotriazol-1-yl)-2-phenyl-1-(p-tolyl)ethanone CAS Name: (2S)-2-(1-benzotriazolyl)-1-(4-methylphenyl)-2-phenylethanone IUPAC Name: (2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethanone Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-phenyl-1-(p-tolyl)ethanone Formula: C21H17N3O MolecularWeight: 327.37918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H17N3O/c1-15-11-13-17(14-12-15)21(25)20(16-7-3-2-4-8-16)24-19-10-6-5-9-18(19)22-23-24/h2-14,20H,1H3/t20-/m0/s1