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

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-5-[(2-methylphenyl)carbonylamino]pyridine-3-carboxylic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-5-[[(2-methylphenyl)-oxomethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-(4-acetylpiperazino)-5-(o-toluoylamino)nicotinic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H22N4O4/c1-13-5-3-4-6-16(13)19(26)22-15-11-17(20(27)28)18(21-12-15)24-9-7-23(8-10-24)14(2)25/h3-6,11-12H,7-10H2,1-2H3,(H,22,26)(H,27,28)