1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[[5-(4-fluorophenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(4-fluorophenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazino]-2-(phenylthio)ethanone Formula: C30H28FN3O2S MolecularWeight: 513.625623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C(=O)CSC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C30H28FN3O2S/c1-22-27(20-28(23-12-14-24(31)15-13-23)34(22)25-8-4-2-5-9-25)30(36)33-18-16-32(17-19-33)29(35)21-37-26-10-6-3-7-11-26/h2-15,20H,16-19,21H2,1H3