N-(3-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanamide

Systemtic Name: N-(3-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide CAS Name: N-(3-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]acetamide IUPAC Name: N-(3-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide Traditional Name: N-(3-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]acetamide Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)CC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23BrN2O3/c22-16-4-1-5-17(13-16)23-21(25)14-24-9-2-6-18(24)15-7-8-19-20(12-15)27-11-3-10-26-19/h1,4-5,7-8,12-13,18H,2-3,6,9-11,14H2,(H,23,25)/t18-/m0/s1