N-[[3-(3-fluoranyl-4-piperazin-1-yl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine

Systemtic Name: N-[[3-(3-fluoranyl-4-piperazin-1-yl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine Openeye Name: N-[[3-(3-fluoro-4-piperazin-1-yl-phenyl)-4,5-dihydroisoxazol-5-yl]methyl]isoxazol-3-amine CAS Name: N-[[3-[3-fluoro-4-(1-piperazinyl)phenyl]-4,5-dihydroisoxazol-5-yl]methyl]-3-isoxazolamine IUPAC Name: N-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine Traditional Name: [3-(3-fluoro-4-piperazino-phenyl)-2-isoxazolin-5-yl]methyl-isoxazol-3-yl-amine Formula: C17H20FN5O2 MolecularWeight: 345.371403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)C3=NOC(C3)CNC4=NOC=C4)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)C3=NOC(C3)CNC4=NOC=C4)F

InChI

InChI=1S/C17H20FN5O2/c18-14-9-12(1-2-16(14)23-6-4-19-5-7-23)15-10-13(25-21-15)11-20-17-3-8-24-22-17/h1-3,8-9,13,19H,4-7,10-11H2,(H,20,22)