1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]ethanone Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C18H21N5O3/c1-14(24)21-7-9-22(10-8-21)16-4-5-18(23(25)26)17(11-16)20-13-15-3-2-6-19-12-15/h2-6,11-12,20H,7-10,13H2,1H3