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

Systemtic Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazino]ethanone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)C(=O)C)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)C(=O)C)N3C=CC=C3)C

InChI

InChI=1S/C17H21N3O2S/c1-12-13(2)23-17(20-6-4-5-7-20)15(12)16(22)19-10-8-18(9-11-19)14(3)21/h4-7H,8-11H2,1-3H3