5-nitro-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]pyridin-2-one

Systemtic Name: 5-nitro-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]pyridin-2-one Openeye Name: 5-nitro-1-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]pyridin-2-one CAS Name: 5-nitro-1-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-pyridinone IUPAC Name: 5-nitro-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]pyridin-2-one Traditional Name: 5-nitro-1-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]-2-pyridone Formula: C16H16F3N5O3 MolecularWeight: 383.32515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H16F3N5O3/c17-16(18,19)12-1-3-14(20-9-12)22-7-5-21(6-8-22)11-23-10-13(24(26)27)2-4-15(23)25/h1-4,9-10H,5-8,11H2