N-[3-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzamide

Systemtic Name: N-[3-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Openeye Name: N-[3-[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide CAS Name: N-[3-[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzamide IUPAC Name: N-[3-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]benzamide Traditional Name: N-[3-[2-[4-(5-bromo-2-pyridyl)piperazino]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Formula: C24H26BrN5O2 MolecularWeight: 496.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C4=NC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C4=NC=C(C=C4)Br

InChI

InChI=1S/C24H26BrN5O2/c1-17-14-21(18(2)30(17)27-24(32)19-6-4-3-5-7-19)22(31)16-28-10-12-29(13-11-28)23-9-8-20(25)15-26-23/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,32)