N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-thenoyl)piperazino]acetamide Formula: C25H26FN5O2S MolecularWeight: 479.569643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H26FN5O2S/c1-17-18(2)31(15-19-5-7-20(26)8-6-19)24(21(17)14-27)28-23(32)16-29-9-11-30(12-10-29)25(33)22-4-3-13-34-22/h3-8,13H,9-12,15-16H2,1-2H3,(H,28,32)