N-[[(3R,4S)-1-(4-methoxybutyl)-4-oxidanyl-pyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: N-[[(3R,4S)-1-(4-methoxybutyl)-4-oxidanyl-pyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[(3R,4S)-4-hydroxy-1-(4-methoxybutyl)pyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[(3R,4S)-4-hydroxy-1-(4-methoxybutyl)-3-pyrrolidinyl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[(3R,4S)-4-hydroxy-1-(4-methoxybutyl)pyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[(3R,4S)-4-hydroxy-1-(4-methoxybutyl)pyrrolidin-3-yl]methyl]-8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCN1CC(C(C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)[N+](=O)[O-]

Isomeric SMILES

COCCCCN1C[C@H]([C@@H](C1)O)CNC(=O)C2=CC(=CC3=C2OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O7/c1-28-6-3-2-5-22-12-14(17(24)13-22)11-21-20(25)16-9-15(23(26)27)10-18-19(16)30-8-4-7-29-18/h9-10,14,17,24H,2-8,11-13H2,1H3,(H,21,25)/t14-,17-/m1/s1