1-methyl-3-nitro-4-[4-[5-(trifluoromethyl)thiophen-2-yl]carbonylpiperazin-1-yl]quinolin-2-one

Systemtic Name: 1-methyl-3-nitro-4-[4-[5-(trifluoromethyl)thiophen-2-yl]carbonylpiperazin-1-yl]quinolin-2-one Openeye Name: 1-methyl-3-nitro-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinolin-2-one CAS Name: 1-methyl-3-nitro-4-[4-[oxo-[5-(trifluoromethyl)-2-thiophenyl]methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-methyl-3-nitro-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazin-1-yl]quinolin-2-one Traditional Name: 1-methyl-3-nitro-4-[4-[5-(trifluoromethyl)thiophene-2-carbonyl]piperazino]carbostyril Formula: C20H17F3N4O4S MolecularWeight: 466.43359

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=C(S4)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=C(S4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O4S/c1-24-13-5-3-2-4-12(13)16(17(19(24)29)27(30)31)25-8-10-26(11-9-25)18(28)14-6-7-15(32-14)20(21,22)23/h2-7H,8-11H2,1H3