4-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]carbonylpiperazin-2-one Openeye Name: 4-[2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carbonyl]piperazin-2-one CAS Name: 4-[[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonyl]piperazin-2-one Traditional Name: 4-[2,5-dimethyl-1-(2-thenyl)pyrrole-3-carbonyl]piperazin-2-one Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C16H19N3O2S/c1-11-8-14(16(21)18-6-5-17-15(20)10-18)12(2)19(11)9-13-4-3-7-22-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,17,20)