1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromanylphenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromanylphenoxy)ethanone Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromophenoxy)ethanone CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(4-bromophenoxy)ethanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromophenoxy)ethanone Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-2-(4-bromophenoxy)ethanone Formula: C19H18BrN3O2 MolecularWeight: 400.26912

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)COC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H18BrN3O2/c20-13-7-9-14(10-8-13)25-12-18(24)23-11-3-6-17(23)19-21-15-4-1-2-5-16(15)22-19/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,22)/t17-/m0/s1