[4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N3O4S/c24-18(16-1-2-17(28-16)23(26)27)21-3-5-22(6-4-21)19(25)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-2,13-15H,3-12H2