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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-[(4-fluorophenyl)methyl]-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 1-[(4-fluorophenyl)methyl]-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 1-(4-fluorobenzyl)-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C25H21FN4O4S MolecularWeight: 492.522043

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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)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)F)[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C25H21FN4O4S/c26-18-9-7-17(8-10-18)16-29-20-5-2-1-4-19(20)22(23(25(29)32)30(33)34)27-11-13-28(14-12-27)24(31)21-6-3-15-35-21/h1-10,15H,11-14,16H2