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

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(cyclooctylamino)ethanamide Openeye Name: N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]-2-(cyclooctylamino)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-(cyclooctylamino)acetamide IUPAC Name: N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-(cyclooctylamino)acetamide Traditional Name: N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]-2-(cyclooctylamino)acetamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CNC2CCCCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CNC2CCCCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C22H30N4OS/c1-16-17(2)26(15-19-11-8-12-28-19)22(20(16)13-23)25-21(27)14-24-18-9-6-4-3-5-7-10-18/h8,11-12,18,24H,3-7,9-10,14-15H2,1-2H3,(H,25,27)