1-(4-pentoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(4-pentoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(4-pentoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(4-pentoxyphenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-pentoxyphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-amoxyphenyl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C23H30N4O3/c1-2-3-4-18-30-20-8-6-19(7-9-20)21(28)10-11-22(29)26-14-16-27(17-15-26)23-24-12-5-13-25-23/h5-9,12-13H,2-4,10-11,14-18H2,1H3