1-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyrazinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazino)ethanone Formula: C23H26BrN5O MolecularWeight: 468.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C(=O)CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C(=O)CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C23H26BrN5O/c1-16-12-19(4-5-21(16)24)29-17(2)13-20(18(29)3)22(30)15-27-8-10-28(11-9-27)23-14-25-6-7-26-23/h4-7,12-14H,8-11,15H2,1-3H3