1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-(4-acetyl-1-piperazinyl)-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-acetylpiperazin-1-yl)-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-(4-acetylpiperazino)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H29N3O2/c1-17-15-21(18(2)25(17)10-9-20-7-5-4-6-8-20)22(27)16-23-11-13-24(14-12-23)19(3)26/h4-8,15H,9-14,16H2,1-3H3