(2S)-2-(benzotriazol-1-yl)-2-(4-bromophenyl)-1-(4-dimethylaminophenyl)ethanone

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-2-(4-bromophenyl)-1-(4-dimethylaminophenyl)ethanone Openeye Name: (2S)-2-(benzotriazol-1-yl)-2-(4-bromophenyl)-1-(4-dimethylaminophenyl)ethanone CAS Name: (2S)-2-(1-benzotriazolyl)-2-(4-bromophenyl)-1-(4-dimethylaminophenyl)ethanone IUPAC Name: (2S)-2-(benzotriazol-1-yl)-2-(4-bromophenyl)-1-(4-dimethylaminophenyl)ethanone Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-(4-bromophenyl)-1-(4-dimethylaminophenyl)ethanone Formula: C22H19BrN4O MolecularWeight: 435.31646

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)Br)N3C4=CC=CC=C4N=N3

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN4O/c1-26(2)18-13-9-16(10-14-18)22(28)21(15-7-11-17(23)12-8-15)27-20-6-4-3-5-19(20)24-25-27/h3-14,21H,1-2H3/t21-/m0/s1