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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2S/c1-20-17-24(21(2)28(20)18-23-9-6-16-31-23)25(29)19-27-12-10-26(11-13-27)14-15-30-22-7-4-3-5-8-22/h3-9,16-17H,10-15,18-19H2,1-2H3