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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CC=C2Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=CC=C2Br)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20BrNO3/c21-16-6-2-1-5-15(16)20(23)22-10-3-7-17(22)14-8-9-18-19(13-14)25-12-4-11-24-18/h1-2,5-6,8-9,13,17H,3-4,7,10-12H2/t17-/m1/s1