[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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