N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-pyrrol-1-ylthiophene-2-carbonyl)piperazino]acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=CC=C2)F)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C21H21FN4O2S/c22-16-4-3-5-17(14-16)23-19(27)15-24-9-11-26(12-10-24)21(28)20-18(6-13-29-20)25-7-1-2-8-25/h1-8,13-14H,9-12,15H2,(H,23,27)