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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(piperonylamino)nicotinonitrile Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O3/c1-25-17-6-3-15(4-7-17)18-8-5-16(11-22)21(24-18)23-12-14-2-9-19-20(10-14)27-13-26-19/h2-10H,12-13H2,1H3,(H,23,24)