1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H27N5O3/c1-17-14-20(18(2)29(17)19-4-5-22-23(15-19)32-13-12-31-22)21(30)16-27-8-10-28(11-9-27)24-25-6-3-7-26-24/h3-7,14-15H,8-13,16H2,1-2H3