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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-[4-(2-thenoyl)piperazino]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O2S/c1-18-19(2)30(16-20-7-4-3-5-8-20)24(21(18)15-26)27-23(31)17-28-10-12-29(13-11-28)25(32)22-9-6-14-33-22/h3-9,14H,10-13,16-17H2,1-2H3,(H,27,31)