1-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazino]butane-1,4-dione Formula: C24H30N2O5 MolecularWeight: 426.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)OC

InChI

InChI=1S/C24H30N2O5/c1-29-22-10-8-19(18-23(22)30-2)21(27)9-11-24(28)26-14-12-25(13-15-26)16-17-31-20-6-4-3-5-7-20/h3-8,10,18H,9,11-17H2,1-2H3