5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(4-fluorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-fluorophenyl)-5-(piperonylamino)oxazole-4-carbonitrile Formula: C18H12FN3O3 MolecularWeight: 337.304583

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C18H12FN3O3/c19-13-4-2-12(3-5-13)17-22-14(8-20)18(25-17)21-9-11-1-6-15-16(7-11)24-10-23-15/h1-7,21H,9-10H2