2,2-dimethyl-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]propan-1-one Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-21(2,3)20(27)25-11-9-24(10-12-25)17-6-7-19(26(28)29)18(13-17)23-15-16-5-4-8-22-14-16/h4-8,13-14,23H,9-12,15H2,1-3H3