2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazino]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C20H26BrN3OS MolecularWeight: 436.40894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)CC4=CC=C(S4)Br

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)CC4=CC=C(S4)Br

InChI

InChI=1S/C20H26BrN3OS/c1-14-11-18(15(2)24(14)16-3-4-16)19(25)13-23-9-7-22(8-10-23)12-17-5-6-20(21)26-17/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3