[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(4-pyridyl)methanone Formula: C17H15F3N4O3 MolecularWeight: 380.32121

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H15F3N4O3/c18-17(19,20)13-1-2-14(15(11-13)24(26)27)22-7-9-23(10-8-22)16(25)12-3-5-21-6-4-12/h1-6,11H,7-10H2