2-[4-(2-adamantyl)piperazin-1-yl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[4-(2-adamantyl)-1-piperazinyl]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[4-(2-adamantyl)piperazino]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H29ClN4O3/c23-19-2-1-18(12-20(19)27(29)30)24-21(28)13-25-3-5-26(6-4-25)22-16-8-14-7-15(10-16)11-17(22)9-14/h1-2,12,14-17,22H,3-11,13H2,(H,24,28)