2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-N-(4-nitrophenyl)acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23N3O5/c25-21(22-16-5-7-17(8-6-16)24(26)27)14-23-10-1-3-18(23)15-4-9-19-20(13-15)29-12-2-11-28-19/h4-9,13,18H,1-3,10-12,14H2,(H,22,25)