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

Systemtic Name: (3-bromophenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Openeye Name: (3-bromophenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone CAS Name: (3-bromophenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methanone IUPAC Name: (3-bromophenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Traditional Name: (3-bromophenyl)-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methanone Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c21-16-5-1-4-15(12-16)20(23)22-9-2-6-17(22)14-7-8-18-19(13-14)25-11-3-10-24-18/h1,4-5,7-8,12-13,17H,2-3,6,9-11H2/t17-/m0/s1