2-(4-ethylpiperazin-1-yl)-5-[(2-methylphenyl)carbonylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-5-[(2-methylphenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid CAS Name: 2-(4-ethyl-1-piperazinyl)-5-[[(2-methylphenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-(4-ethylpiperazino)-5-(o-toluoylamino)nicotinic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C20H24N4O3/c1-3-23-8-10-24(11-9-23)18-17(20(26)27)12-15(13-21-18)22-19(25)16-7-5-4-6-14(16)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)(H,26,27)