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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[4-(2-hydroxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[4-(2-hydroxyphenyl)piperazino]ethanone Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C23H27N3O2S/c1-17-14-20(18(2)26(17)15-19-6-5-13-29-19)23(28)16-24-9-11-25(12-10-24)21-7-3-4-8-22(21)27/h3-8,13-14,27H,9-12,15-16H2,1-2H3