N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-[4-(2-hydroxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-[4-(2-hydroxyphenyl)piperazino]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC=CC=C3O)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)C3=CC=CC=C3O)CC4=CC=CS4)C

InChI

InChI=1S/C24H27N5O2S/c1-17-18(2)29(15-19-6-5-13-32-19)24(20(17)14-25)26-23(31)16-27-9-11-28(12-10-27)21-7-3-4-8-22(21)30/h3-8,13,30H,9-12,15-16H2,1-2H3,(H,26,31)