1-(azepan-1-yl)-2-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazino]ethanone Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4)C

InChI

InChI=1S/C25H34N4O2/c1-20-7-8-21(2)29(20)23-11-9-22(10-12-23)25(31)28-17-15-26(16-18-28)19-24(30)27-13-5-3-4-6-14-27/h7-12H,3-6,13-19H2,1-2H3