5-bromanyl-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]-2-furamide Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C2=CC=C(O2)Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)C2=CC=C(O2)Br)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21BrN2O5/c21-18-7-6-16(28-18)20(25)22-12-19(24)23-8-1-3-14(23)13-4-5-15-17(11-13)27-10-2-9-26-15/h4-7,11,14H,1-3,8-10,12H2,(H,22,25)/t14-/m0/s1