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

Systemtic Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)carbonylpiperazin-1-yl]-2-morpholin-4-yl-ethanone Openeye Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazin-1-yl]-2-morpholino-ethanone CAS Name: 1-[4-[[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]-oxomethyl]-1-piperazinyl]-2-(4-morpholinyl)ethanone IUPAC Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone Traditional Name: 1-[4-(4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carbonyl)piperazino]-2-morpholino-ethanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)C(=O)CN3CCOCC3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)C(=O)CN3CCOCC3)N4C=CC=C4)C

InChI

InChI=1S/C21H28N4O3S/c1-16-17(2)29-21(25-5-3-4-6-25)19(16)20(27)24-9-7-23(8-10-24)18(26)15-22-11-13-28-14-12-22/h3-6H,7-15H2,1-2H3