tert-butyl 4-[6-(5-chloranylthiophen-2-yl)-3-cyano-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-(5-chloranylthiophen-2-yl)-3-cyano-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-(5-chloro-2-thienyl)-3-cyano-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-(5-chloro-2-thiophenyl)-3-cyano-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-(5-chlorothiophen-2-yl)-3-cyanopyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(5-chloro-2-thienyl)-3-cyano-2-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(S3)Cl)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=CC=C(S3)Cl)C#N

InChI

InChI=1S/C19H21ClN4O2S/c1-19(2,3)26-18(25)24-10-8-23(9-11-24)17-13(12-21)4-5-14(22-17)15-6-7-16(20)27-15/h4-7H,8-11H2,1-3H3