2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(2S)-octan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylheptyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazinyl]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(2S)-octan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylheptyl]-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C20H32N4O3 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O3/c1-3-4-5-6-7-17(2)21-20(25)16-22-12-14-23(15-13-22)18-8-10-19(11-9-18)24(26)27/h8-11,17H,3-7,12-16H2,1-2H3,(H,21,25)/t17-/m0/s1