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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

InChI

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