2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazino]nicotinic acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H19N5O4/c1-11-9-13(19-25-11)18-14(22)10-20-5-7-21(8-6-20)15-12(16(23)24)3-2-4-17-15/h2-4,9H,5-8,10H2,1H3,(H,23,24)(H,18,19,22)