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

Systemtic Name: 5-[(4-fluorophenyl)carbonylamino]-2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[(4-fluorobenzoyl)amino]-2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[[(4-fluorophenyl)-oxomethyl]amino]-2-[4-(3-methoxyphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(4-fluorobenzoyl)amino]-2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[(4-fluorobenzoyl)amino]-2-[4-(3-methoxyphenyl)piperazino]nicotinic acid Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=C(C=C3C(=O)O)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O4/c1-33-20-4-2-3-19(14-20)28-9-11-29(12-10-28)22-21(24(31)32)13-18(15-26-22)27-23(30)16-5-7-17(25)8-6-16/h2-8,13-15H,9-12H2,1H3,(H,27,30)(H,31,32)