(E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]prop-2-en-1-one Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H29N3O5/c1-28-17-13-16(14-18(29-2)21(17)27)5-6-19(25)24-11-9-22(10-12-24)15-20(26)23-7-3-4-8-23/h5-6,13-14,27H,3-4,7-12,15H2,1-2H3/b6-5+