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

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazino]-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H27N3O2S/c1-15-12-19(16(2)24(15)13-18-4-3-11-27-18)20(25)14-22-7-9-23(10-8-22)21(26)17-5-6-17/h3-4,11-12,17H,5-10,13-14H2,1-2H3