ethyl 6-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[2-oxo-2-(sec-butylamino)ethyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[2-(butan-2-ylamino)-2-oxoethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[2-keto-2-(sec-butylamino)ethyl]piperazino]nicotinic acid ethyl ester Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)C2=NC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H28N4O3/c1-4-14(3)20-17(23)13-21-8-10-22(11-9-21)16-7-6-15(12-19-16)18(24)25-5-2/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,23)