3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-2-one

Systemtic Name: 3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-2-one Openeye Name: 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-2-one CAS Name: 3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-[[4-(trifluoromethyl)phenyl]methyl]-2-quinolinone IUPAC Name: 3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]quinolin-2-one Traditional Name: 3-nitro-4-[4-(2-thenoyl)piperazino]-1-[4-(trifluoromethyl)benzyl]carbostyril Formula: C26H21F3N4O4S MolecularWeight: 542.52955

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C26H21F3N4O4S/c27-26(28,29)18-9-7-17(8-10-18)16-32-20-5-2-1-4-19(20)22(23(25(32)35)33(36)37)30-11-13-31(14-12-30)24(34)21-6-3-15-38-21/h1-10,15H,11-14,16H2