2-(1-adamantylamino)-2-(1,3-benzodioxol-5-yl)ethanenitrile

Systemtic Name: 2-(1-adamantylamino)-2-(1,3-benzodioxol-5-yl)ethanenitrile Openeye Name: 2-(1-adamantylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile CAS Name: 2-(1-adamantylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile IUPAC Name: 2-(1-adamantylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile Traditional Name: 2-(1-adamantylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H22N2O2/c20-10-16(15-1-2-17-18(6-15)23-11-22-17)21-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,16,21H,3-5,7-9,11H2