3-(3-fluoranyl-4-piperazin-1-yl-phenyl)-5-(1,2,3-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3-fluoranyl-4-piperazin-1-yl-phenyl)-5-(1,2,3-triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-fluoro-4-piperazin-1-yl-phenyl)-5-(triazol-1-ylmethyl)-4,5-dihydroisoxazole CAS Name: 3-[3-fluoro-4-(1-piperazinyl)phenyl]-5-(1-triazolylmethyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-fluoro-4-piperazino-phenyl)-5-(triazol-1-ylmethyl)-2-isoxazoline Formula: C16H19FN6O MolecularWeight: 330.360063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)C3=NOC(C3)CN4C=CN=N4)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)C3=NOC(C3)CN4C=CN=N4)F

InChI

InChI=1S/C16H19FN6O/c17-14-9-12(1-2-16(14)22-6-3-18-4-7-22)15-10-13(24-20-15)11-23-8-5-19-21-23/h1-2,5,8-9,13,18H,3-4,6-7,10-11H2