2-(1,3-benzodioxol-5-ylmethylamino)-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(piperonylamino)nicotinonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H15N3O2/c1-10-5-11(2)19-16(13(10)7-17)18-8-12-3-4-14-15(6-12)21-9-20-14/h3-6H,8-9H2,1-2H3,(H,18,19)