1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-bromanyl-4-methyl-phenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-bromanyl-4-methyl-phenoxy)ethanone Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-bromo-4-methyl-phenoxy)ethanone CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(2-bromo-4-methylphenoxy)ethanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-bromo-4-methylphenoxy)ethanone Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-2-(2-bromo-4-methyl-phenoxy)ethanone Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCCC2C3=NC4=CC=CC=C4N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)Br

InChI

InChI=1S/C20H20BrN3O2/c1-13-8-9-18(14(21)11-13)26-12-19(25)24-10-4-7-17(24)20-22-15-5-2-3-6-16(15)23-20/h2-3,5-6,8-9,11,17H,4,7,10,12H2,1H3,(H,22,23)/t17-/m0/s1