N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-morpholino-5-nitro-benzamide Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C24H29N3O6/c1-16(2)23(17-4-7-21-22(14-17)33-11-3-10-32-21)25-24(28)19-15-18(27(29)30)5-6-20(19)26-8-12-31-13-9-26/h4-7,14-16,23H,3,8-13H2,1-2H3,(H,25,28)/t23-/m0/s1