(2R)-2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)ethanenitrile

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)ethanenitrile Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCC(CC1)N[C@@H](C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O2/c17-10-14(18-13-5-3-1-2-4-6-13)12-7-8-15-16(9-12)20-11-19-15/h7-9,13-14,18H,1-6,11H2/t14-/m0/s1