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

Systemtic Name: (5-bromanylthiophen-2-yl)-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Openeye Name: (5-bromo-2-thienyl)-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone CAS Name: (5-bromo-2-thiophenyl)-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]methanone IUPAC Name: (5-bromothiophen-2-yl)-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methanone Traditional Name: (5-bromo-2-thienyl)-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]methanone Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(S2)Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=C(S2)Br)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H18BrNO3S/c19-17-7-6-16(24-17)18(21)20-8-1-3-13(20)12-4-5-14-15(11-12)23-10-2-9-22-14/h4-7,11,13H,1-3,8-10H2/t13-/m1/s1