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

Systemtic Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrol-3-yl]carbonylpiperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[[5-(3-methoxyphenyl)-2-methyl-1-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(3-methoxyphenyl)-2-methyl-1-phenyl-pyrrole-3-carbonyl]piperazino]-2-(phenylthio)ethanone Formula: C31H31N3O3S MolecularWeight: 525.66114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31N3O3S/c1-23-28(21-29(24-10-9-13-26(20-24)37-2)34(23)25-11-5-3-6-12-25)31(36)33-18-16-32(17-19-33)30(35)22-38-27-14-7-4-8-15-27/h3-15,20-21H,16-19,22H2,1-2H3