4-[4-[[(2S,4R)-2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carbonitrile

Systemtic Name: 4-[4-[[(2S,4R)-2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carbonitrile Openeye Name: 4-[4-[[(2S,4R)-2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carbonitrile CAS Name: 4-[4-[[(2S,4R)-2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinecarbonitrile IUPAC Name: 4-[4-[[(2S,4R)-2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carbonitrile Traditional Name: 4-[4-[[(2S,4R)-2-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carbonitrile Formula: C24H25FN6O3 MolecularWeight: 464.492103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C#N)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C#N)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=NC=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H25FN6O3/c25-20-3-1-19(2-4-20)24(15-31-18-27-17-28-31)33-14-23(34-24)13-32-22-7-5-21(6-8-22)30-11-9-29(16-26)10-12-30/h1-8,17-18,23H,9-15H2/t23-,24-/m1/s1