5-[(2-chlorophenyl)carbonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-[(2-chlorophenyl)carbonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid Openeye Name: 5-[(2-chlorobenzoyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid CAS Name: 5-[[(2-chlorophenyl)-oxomethyl]amino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[(2-chlorobenzoyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid Traditional Name: 5-[(2-chlorobenzoyl)amino]-2-[4-(2-pyrimidyl)piperazino]nicotinic acid Formula: C21H19ClN6O3 MolecularWeight: 438.86696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CC=C3Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CC=C3Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H19ClN6O3/c22-17-5-2-1-4-15(17)19(29)26-14-12-16(20(30)31)18(25-13-14)27-8-10-28(11-9-27)21-23-6-3-7-24-21/h1-7,12-13H,8-11H2,(H,26,29)(H,30,31)