1-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: 1-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: 1-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one CAS Name: 1-(3,4-dimethoxyphenyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-(3,4-dimethoxyphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one Traditional Name: 1-(3,4-dimethoxyphenyl)-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]-2-pyrrolidone Formula: C21H25N5O4 MolecularWeight: 411.4543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C21H25N5O4/c1-29-17-5-4-16(13-18(17)30-2)26-14-15(12-19(26)27)20(28)24-8-10-25(11-9-24)21-22-6-3-7-23-21/h3-7,13,15H,8-12,14H2,1-2H3