N-[(1R)-1-(1-adamantyl)ethyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-morpholino-5-nitro-benzamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C23H31N3O4/c1-15(23-12-16-8-17(13-23)10-18(9-16)14-23)24-22(27)20-11-19(26(28)29)2-3-21(20)25-4-6-30-7-5-25/h2-3,11,15-18H,4-10,12-14H2,1H3,(H,24,27)/t15-,16?,17?,18?,23?/m1/s1