tert-butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C)C#N

InChI

InChI=1S/C20H28N4O4/c1-13-15(14(2)22-18(26)16(13)12-21)6-7-17(25)23-8-10-24(11-9-23)19(27)28-20(3,4)5/h6-11H2,1-5H3,(H,22,26)