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

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(2-fluorophenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(2-fluorobenzoyl)amino]pyridine-3-carboxylic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-[[(2-fluorophenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(2-fluorobenzoyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-[(2-fluorobenzoyl)amino]nicotinic acid Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN1CCC#N)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H20FN5O3/c21-17-5-2-1-4-15(17)19(27)24-14-12-16(20(28)29)18(23-13-14)26-10-8-25(9-11-26)7-3-6-22/h1-2,4-5,12-13H,3,7-11H2,(H,24,27)(H,28,29)