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

Systemtic Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(2-quinolyl)methanone CAS Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-(2-quinolinyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-(2-quinolyl)methanone Formula: C21H17F3N4O3 MolecularWeight: 430.37989

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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=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17F3N4O3/c22-21(23,24)15-6-8-18(19(13-15)28(30)31)26-9-11-27(12-10-26)20(29)17-7-5-14-3-1-2-4-16(14)25-17/h1-8,13H,9-12H2