N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-4-morpholino-3-nitro-benzamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

InChI

InChI=1S/C23H31N3O4/c1-21-10-16-11-22(2,13-21)15-23(12-16,14-21)24-20(27)17-3-4-18(19(9-17)26(28)29)25-5-7-30-8-6-25/h3-4,9,16H,5-8,10-15H2,1-2H3,(H,24,27)/t16?,21-,22+,23?