[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[(7-fluoro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C20H17FN4O4S MolecularWeight: 428.436783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O4S/c1-12-15(10-13-2-3-14(21)11-16(13)22-12)19(26)23-6-8-24(9-7-23)20(27)17-4-5-18(30-17)25(28)29/h2-5,10-11H,6-9H2,1H3