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

Systemtic Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-2-pyrrolyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[3-cyano-1-(4-methoxyphenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(2-thenyl)piperazino]acetamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC=CS3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCN(CC2)CC3=CC=CS3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H29N5O2S/c1-18-19(2)30(20-6-8-21(32-3)9-7-20)25(23(18)15-26)27-24(31)17-29-12-10-28(11-13-29)16-22-5-4-14-33-22/h4-9,14H,10-13,16-17H2,1-3H3,(H,27,31)