1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)-3-pyrrolyl]-2-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-2-[4-(2-pyridyl)piperazino]ethanone Formula: C19H23N7O MolecularWeight: 365.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=NC=NN2)C)C(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C19H23N7O/c1-14-11-16(15(2)26(14)19-21-13-22-23-19)17(27)12-24-7-9-25(10-8-24)18-5-3-4-6-20-18/h3-6,11,13H,7-10,12H2,1-2H3,(H,21,22,23)