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

Systemtic Name: 2-(azepan-1-yl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]ethanamide Openeye Name: 2-(azepan-1-yl)-N-[3-cyano-4,5-dimethyl-1-(2-thienylmethyl)pyrrol-2-yl]acetamide CAS Name: 2-(1-azepanyl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-[3-cyano-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]acetamide Traditional Name: 2-(azepan-1-yl)-N-[3-cyano-4,5-dimethyl-1-(2-thenyl)pyrrol-2-yl]acetamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCCCC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCCCC2)CC3=CC=CS3)C

InChI

InChI=1S/C20H26N4OS/c1-15-16(2)24(13-17-8-7-11-26-17)20(18(15)12-21)22-19(25)14-23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,13-14H2,1-2H3,(H,22,25)