1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[4-(2-pyrazinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(4-pyrazin-2-ylpiperazino)ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C21H25N5OS/c1-16-12-19(17(2)26(16)14-18-4-3-11-28-18)20(27)15-24-7-9-25(10-8-24)21-13-22-5-6-23-21/h3-6,11-13H,7-10,14-15H2,1-2H3