2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[(piperonylamino)methyl]pyrrol-1-yl]benzonitrile Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CN3C4=CC=CC=C4C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CN3C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N3O2/c21-11-16-4-1-2-6-18(16)23-9-3-5-17(23)13-22-12-15-7-8-19-20(10-15)25-14-24-19/h1-10,22H,12-14H2