1-[4-ethanoyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[4-ethanoyl-2-[[(3S)-3-oxidanylpyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[4-acetyl-2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-1-piperazinyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[4-acetyl-2-[[(3S)-3-hydroxypyrrolidino]methyl]piperazino]-2-(4-nitrophenyl)ethanone Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)CN2CCC(C2)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(C(C1)CN2CC[C@@H](C2)O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5/c1-14(24)21-8-9-22(17(12-21)11-20-7-6-18(25)13-20)19(26)10-15-2-4-16(5-3-15)23(27)28/h2-5,17-18,25H,6-13H2,1H3/t17?,18-/m0/s1