3-(1,3-benzodioxol-5-yl)-4-phenyl-butanenitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-butanenitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-butanenitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-4-phenylbutanenitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-phenylbutanenitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-butyronitrile Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC#N)CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H15NO2/c18-9-8-15(10-13-4-2-1-3-5-13)14-6-7-16-17(11-14)20-12-19-16/h1-7,11,15H,8,10,12H2