tert-butyl 3-[(6Z)-2-acetamido-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(6Z)-2-acetamido-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(6Z)-2-acetamido-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate CAS Name: 3-[(6Z)-2-acetamido-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(6Z)-2-acetamido-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylate Traditional Name: 3-[(6Z)-2-acetamido-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C2C=CC=CC2=O)N1)C3CCCN(C3)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(=O)NC1=C(C(=C/C(=C/2\C=CC=CC2=O)/N1)C3CCCN(C3)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C24H28N4O4/c1-15(29)26-22-19(13-25)18(12-20(27-22)17-9-5-6-10-21(17)30)16-8-7-11-28(14-16)23(31)32-24(2,3)4/h5-6,9-10,12,16,27H,7-8,11,14H2,1-4H3,(H,26,29)/b20-17-