2-(1H-indol-3-yl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1H-indol-3-yl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1H-indol-3-yl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(1H-indol-3-yl)-1-[4-[6-(1-pyrazolyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1H-indol-3-yl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1H-indol-3-yl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazino]ethanone Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC(=C2)N3C=CC=N3)C(=O)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=NC=NC(=C2)N3C=CC=N3)C(=O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H21N7O/c29-21(12-16-14-22-18-5-2-1-4-17(16)18)27-10-8-26(9-11-27)19-13-20(24-15-23-19)28-7-3-6-25-28/h1-7,13-15,22H,8-12H2