[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-morpholin-4-yl-3-nitro-phenyl)methanone Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-morpholino-3-nitro-phenyl)methanone CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-[4-(4-morpholinyl)-3-nitrophenyl]methanone IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(4-morpholino-3-nitro-phenyl)methanone Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H27N3O6/c28-24(18-4-6-20(21(15-18)27(29)30)25-9-13-31-14-10-25)26-8-1-3-19(26)17-5-7-22-23(16-17)33-12-2-11-32-22/h4-7,15-16,19H,1-3,8-14H2