3-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile CAS Name: 3-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile IUPAC Name: 3-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]methyl]benzonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)NCC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)NCC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C17H16N2O2/c1-17(2)20-15-7-6-14(9-16(15)21-17)19-11-13-5-3-4-12(8-13)10-18/h3-9,19H,11H2,1-2H3