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

Systemtic Name: 5-acetamido-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-acetamido-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 5-acetamido-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 5-acetamido-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-acetamido-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]nicotinic acid Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN=C(C(=C1)C(=O)O)N2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CN=C(C(=C1)C(=O)O)N2CCN(CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H25N5O4/c1-13(24)20-14-10-15(18(26)27)17(19-11-14)23-8-6-21(7-9-23)12-16(25)22-4-2-3-5-22/h10-11H,2-9,12H2,1H3,(H,20,24)(H,26,27)