N-(1-adamantyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3/c27-20(23-21-10-15-7-16(11-21)9-17(8-15)12-21)14-24-3-5-25(6-4-24)18-1-2-19(22-13-18)26(28)29/h1-2,13,15-17H,3-12,14H2,(H,23,27)