2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C28H39N3O2 MolecularWeight: 449.62816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H39N3O2/c1-22-20-26(23(2)31(22)19-12-24-10-6-5-7-11-24)27(32)21-29-17-13-25(14-18-29)28(33)30-15-8-3-4-9-16-30/h5-7,10-11,20,25H,3-4,8-9,12-19,21H2,1-2H3