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

Systemtic Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(2-adamantyl)-1-piperazinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(2-adamantyl)piperazino]-N-(3-nitrophenyl)acetamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3/c27-21(23-19-2-1-3-20(13-19)26(28)29)14-24-4-6-25(7-5-24)22-17-9-15-8-16(11-17)12-18(22)10-15/h1-3,13,15-18,22H,4-12,14H2,(H,23,27)