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

Systemtic Name: 6-chloranyl-1-[(4-fluorophenyl)methyl]-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 6-chloro-1-[(4-fluorophenyl)methyl]-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 6-chloro-1-[(4-fluorophenyl)methyl]-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 6-chloro-1-[(4-fluorophenyl)methyl]-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 6-chloro-1-(4-fluorobenzyl)-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C25H20ClFN4O4S MolecularWeight: 526.967103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)F)[N+](=O)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)F)[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C25H20ClFN4O4S/c26-17-5-8-20-19(14-17)22(28-9-11-29(12-10-28)24(32)21-2-1-13-36-21)23(31(34)35)25(33)30(20)15-16-3-6-18(27)7-4-16/h1-8,13-14H,9-12,15H2