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

Systemtic Name: 5-acetamido-2-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-acetamido-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-acetamido-2-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-acetamido-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-acetamido-2-[4-[2-keto-2-(propylamino)ethyl]piperazino]nicotinic acid Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C2=NC=C(C=C2C(=O)O)NC(=O)C

InChI

InChI=1S/C17H25N5O4/c1-3-4-18-15(24)11-21-5-7-22(8-6-21)16-14(17(25)26)9-13(10-19-16)20-12(2)23/h9-10H,3-8,11H2,1-2H3,(H,18,24)(H,20,23)(H,25,26)