1-adamantyl-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[4-fluoro-5-(4-morpholinyl)-2-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(4-fluoro-5-morpholino-2-nitro-phenyl)piperazino]methanone Formula: C25H33FN4O4 MolecularWeight: 472.552323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33FN4O4/c26-20-12-23(30(32)33)22(13-21(20)28-5-7-34-8-6-28)27-1-3-29(4-2-27)24(31)25-14-17-9-18(15-25)11-19(10-17)16-25/h12-13,17-19H,1-11,14-16H2