1-(3-fluoranyl-4-methoxy-phenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(3-fluoranyl-4-methoxy-phenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3-fluoro-4-methoxy-phenyl)-4-[4-(4-pyridyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3-fluoro-4-methoxyphenyl)-4-(4-pyridin-4-yl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(3-fluoro-4-methoxyphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3-fluoro-4-methoxy-phenyl)-4-[4-(4-pyridyl)piperazino]butane-1,4-dione Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=NC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)C3=CC=NC=C3)F

InChI

InChI=1S/C20H22FN3O3/c1-27-19-4-2-15(14-17(19)21)18(25)3-5-20(26)24-12-10-23(11-13-24)16-6-8-22-9-7-16/h2,4,6-9,14H,3,5,10-13H2,1H3