2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)pyridine-3-carboxylic acid Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(thiophene-2-carbonylamino)pyridine-3-carboxylic acid Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-5-(2-thenoylamino)nicotinic acid Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H19FN4O3S/c22-14-3-5-16(6-4-14)25-7-9-26(10-8-25)19-17(21(28)29)12-15(13-23-19)24-20(27)18-2-1-11-30-18/h1-6,11-13H,7-10H2,(H,24,27)(H,28,29)