tert-butyl 4-[3-(5-cyanothiophen-2-yl)propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(5-cyanothiophen-2-yl)propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(5-cyano-2-thienyl)propyl]piperazine-1-carboxylate CAS Name: 4-[3-(5-cyano-2-thiophenyl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(5-cyanothiophen-2-yl)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-cyano-2-thienyl)propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CC=C(S2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCC2=CC=C(S2)C#N

InChI

InChI=1S/C17H25N3O2S/c1-17(2,3)22-16(21)20-11-9-19(10-12-20)8-4-5-14-6-7-15(13-18)23-14/h6-7H,4-5,8-12H2,1-3H3