tert-butyl 4-[4-cyano-4-(5-cyanothiophen-2-yl)-5-methyl-hexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-cyano-4-(5-cyanothiophen-2-yl)-5-methyl-hexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-cyano-4-(5-cyano-2-thienyl)-5-methyl-hexyl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-4-(5-cyano-2-thiophenyl)-5-methylhexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-4-(5-cyanothiophen-2-yl)-5-methylhexyl]piperazine-1-carboxylate Traditional Name: 4-[4-cyano-4-(5-cyano-2-thienyl)-5-methyl-hexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C(=O)OC(C)(C)C)(C#N)C2=CC=C(S2)C#N

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C(=O)OC(C)(C)C)(C#N)C2=CC=C(S2)C#N

InChI

InChI=1S/C22H32N4O2S/c1-17(2)22(16-24,19-8-7-18(15-23)29-19)9-6-10-25-11-13-26(14-12-25)20(27)28-21(3,4)5/h7-8,17H,6,9-14H2,1-5H3