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

Systemtic Name: 1-adamantyl-[4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(4-fluoro-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)piperazino]methanone Formula: C25H33FN4O3 MolecularWeight: 456.552923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-])F

InChI

InChI=1S/C25H33FN4O3/c26-20-12-23(30(32)33)22(13-21(20)27-3-1-2-4-27)28-5-7-29(8-6-28)24(31)25-14-17-9-18(15-25)11-19(10-17)16-25/h12-13,17-19H,1-11,14-16H2