3-azanyl-2-(4H-1,3-benzodioxin-6-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 3-azanyl-2-(4H-1,3-benzodioxin-6-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 3-amino-2-(4H-1,3-benzodioxin-6-yl)-2-isopropyl-pentanenitrile CAS Name: 3-amino-2-(4H-1,3-benzodioxin-6-yl)-2-propan-2-ylpentanenitrile IUPAC Name: 3-amino-2-(4H-1,3-benzodioxin-6-yl)-2-propan-2-ylpentanenitrile Traditional Name: 3-amino-2-(4H-1,3-benzodioxin-6-yl)-2-isopropyl-valeronitrile Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)(C1=CC2=C(C=C1)OCOC2)C(C)C)N

Isomeric SMILES

CCC(C(C#N)(C1=CC2=C(C=C1)OCOC2)C(C)C)N

InChI

InChI=1S/C16H22N2O2/c1-4-15(18)16(9-17,11(2)3)13-5-6-14-12(7-13)8-19-10-20-14/h5-7,11,15H,4,8,10,18H2,1-3H3