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

Systemtic Name: 4-bromanyl-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-oxoethyl]benzamide IUPAC Name: 4-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide Traditional Name: 4-bromo-N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-keto-ethyl]benzamide Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O4/c23-17-7-4-15(5-8-17)22(27)24-14-21(26)25-10-1-3-18(25)16-6-9-19-20(13-16)29-12-2-11-28-19/h4-9,13,18H,1-3,10-12,14H2,(H,24,27)/t18-/m0/s1