1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C23H27N5O/c1-17-5-7-20(8-6-17)28-18(2)15-21(19(28)3)22(29)16-26-11-13-27(14-12-26)23-24-9-4-10-25-23/h4-10,15H,11-14,16H2,1-3H3