1-[(3-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 1-[(3-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-[(3-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-(3-fluorobenzyl)-2-keto-4-[4-(2-thenoyl)piperazino]-1,8-naphthyridine-3-carboxylic acid Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=C2C=CC=N3)CC4=CC(=CC=C4)F)C(=O)O)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=C2C=CC=N3)CC4=CC(=CC=C4)F)C(=O)O)C(=O)C5=CC=CS5

InChI

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