(2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromanylphenoxy)propan-1-one

Systemtic Name: (2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromanylphenoxy)propan-1-one Openeye Name: (2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromophenoxy)propan-1-one CAS Name: (2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(4-bromophenoxy)-1-propanone IUPAC Name: (2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromophenoxy)propan-1-one Traditional Name: (2R)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-2-(4-bromophenoxy)propan-1-one Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C2=NC3=CC=CC=C3N2)OC4=CC=C(C=C4)Br

Isomeric SMILES

C[C@H](C(=O)N1CCC[C@H]1C2=NC3=CC=CC=C3N2)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O2/c1-13(26-15-10-8-14(21)9-11-15)20(25)24-12-4-7-18(24)19-22-16-5-2-3-6-17(16)23-19/h2-3,5-6,8-11,13,18H,4,7,12H2,1H3,(H,22,23)/t13-,18+/m1/s1