1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanone

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)ethanone Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromo-2-chloro-6-methyl-phenoxy)ethanone CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(4-bromo-2-chloro-6-methylphenoxy)ethanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-bromo-2-chloro-6-methylphenoxy)ethanone Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-2-(4-bromo-2-chloro-6-methyl-phenoxy)ethanone Formula: C20H19BrClN3O2 MolecularWeight: 448.74076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCCC2C3=NC4=CC=CC=C4N3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)Cl)Br

InChI

InChI=1S/C20H19BrClN3O2/c1-12-9-13(21)10-14(22)19(12)27-11-18(26)25-8-4-7-17(25)20-23-15-5-2-3-6-16(15)24-20/h2-3,5-6,9-10,17H,4,7-8,11H2,1H3,(H,23,24)/t17-/m0/s1