N-(1-adamantyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-morpholino-3-nitro-benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4/c25-20(22-21-11-14-7-15(12-21)9-16(8-14)13-21)17-1-2-18(19(10-17)24(26)27)23-3-5-28-6-4-23/h1-2,10,14-16H,3-9,11-13H2,(H,22,25)