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

Systemtic Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[1-[2-(1-cyclohexenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H33N5O MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H33N5O/c1-19-17-22(20(2)29(19)12-9-21-7-4-3-5-8-21)23(30)18-27-13-15-28(16-14-27)24-25-10-6-11-26-24/h6-7,10-11,17H,3-5,8-9,12-16,18H2,1-2H3