butan-2-yl 2-(3-oxidanylidene-1-pyridin-4-ylcarbonyl-piperazin-2-yl)ethanoate

Systemtic Name: butan-2-yl 2-(3-oxidanylidene-1-pyridin-4-ylcarbonyl-piperazin-2-yl)ethanoate Openeye Name: sec-butyl 2-[3-oxo-1-(pyridine-4-carbonyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo(pyridin-4-yl)methyl]-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-oxo-1-(pyridine-4-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-(1-isonicotinoyl-3-keto-piperazin-2-yl)acetic acid sec-butyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC=NC=C2

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H21N3O4/c1-3-11(2)23-14(20)10-13-15(21)18-8-9-19(13)16(22)12-4-6-17-7-5-12/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,21)