2-(1-adamantyl)-N-(4-morpholin-4-yl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-adamantyl)-N-(4-morpholin-4-yl-3-nitro-phenyl)ethanamide Openeye Name: 2-(1-adamantyl)-N-(4-morpholino-3-nitro-phenyl)acetamide CAS Name: 2-(1-adamantyl)-N-[4-(4-morpholinyl)-3-nitrophenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide Traditional Name: 2-(1-adamantyl)-N-(4-morpholino-3-nitro-phenyl)acetamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c26-21(14-22-11-15-7-16(12-22)9-17(8-15)13-22)23-18-1-2-19(20(10-18)25(27)28)24-3-5-29-6-4-24/h1-2,10,15-17H,3-9,11-14H2,(H,23,26)