5-acetamido-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-acetamido-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-acetamido-2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-acetamido-2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-acetamido-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-acetamido-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]nicotinic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=C(C=C3C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=NC=C(C=C3C(=O)O)NC(=O)C

InChI

InChI=1S/C21H25N5O4/c1-14-3-5-16(6-4-14)24-19(28)13-25-7-9-26(10-8-25)20-18(21(29)30)11-17(12-22-20)23-15(2)27/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)(H,24,28)(H,29,30)