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

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-pyridyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(2-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=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC=CC=N3

InChI

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