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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c25-21(22-16-4-1-5-17(13-16)24(26)27)14-23-9-2-6-18(23)15-7-8-19-20(12-15)29-11-3-10-28-19/h1,4-5,7-8,12-13,18H,2-3,6,9-11,14H2,(H,22,25)