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

Systemtic Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxo-ethyl]piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-acetamido-2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-acetamido-2-[4-[2-(butylamino)-2-keto-ethyl]piperazino]nicotinic acid Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-3-4-5-19-16(25)12-22-6-8-23(9-7-22)17-15(18(26)27)10-14(11-20-17)21-13(2)24/h10-11H,3-9,12H2,1-2H3,(H,19,25)(H,21,24)(H,26,27)