4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]carbonylpiperazin-2-one Openeye Name: 4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-2-one CAS Name: 4-[[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-2-one Traditional Name: 4-(1-benzyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-2-one Formula: C18H21N3O2 MolecularWeight: 311.37824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H21N3O2/c1-13-10-16(18(23)20-9-8-19-17(22)12-20)14(2)21(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,19,22)