3-(3,4-dimethoxyphenyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydroisoxazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4,5-dihydroisoxazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[3-[4-(2-pyrimidyl)piperazino]propyl]-2-isoxazoline Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)CCCN3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(C2)CCCN3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C22H29N5O3/c1-28-20-7-6-17(15-21(20)29-2)19-16-18(30-25-19)5-3-10-26-11-13-27(14-12-26)22-23-8-4-9-24-22/h4,6-9,15,18H,3,5,10-14,16H2,1-2H3