3-[1-(1-butyl-5-fluoranyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[1-(1-butyl-5-fluoranyl-indol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[1-(1-butyl-5-fluoro-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-dione CAS Name: 3-[1-(1-butyl-5-fluoro-3-indolyl)ethyl]-6-(4-thiazolylmethyl)piperazine-2,5-dione IUPAC Name: 3-[1-(1-butyl-5-fluoroindol-3-yl)ethyl]-6-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione Traditional Name: 3-[1-(1-butyl-5-fluoro-indol-3-yl)ethyl]-6-(thiazol-4-ylmethyl)piperazine-2,5-quinone Formula: C22H25FN4O2S MolecularWeight: 428.522903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=CC(=C2)F)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4

Isomeric SMILES

CCCCN1C=C(C2=C1C=CC(=C2)F)C(C)C3C(=O)NC(C(=O)N3)CC4=CSC=N4

InChI

InChI=1S/C22H25FN4O2S/c1-3-4-7-27-10-17(16-8-14(23)5-6-19(16)27)13(2)20-22(29)25-18(21(28)26-20)9-15-11-30-12-24-15/h5-6,8,10-13,18,20H,3-4,7,9H2,1-2H3,(H,25,29)(H,26,28)