8-nitro-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]isoquinoline IUPAC Name: 8-nitro-5-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]isoquinoline Formula: C19H16F3N5O2 MolecularWeight: 403.35785

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O2/c20-19(21,22)13-1-4-18(24-11-13)26-9-7-25(8-10-26)16-2-3-17(27(28)29)15-12-23-6-5-14(15)16/h1-6,11-12H,7-10H2