3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(1,3-dioxoisoindolin-2-yl)methyl-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(1,3-dioxoisoindol-2-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[phthalimidomethyl(3-pyridylmethyl)amino]propionitrile Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CN(CCC#N)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CN(CCC#N)CC3=CN=CC=C3

InChI

InChI=1S/C18H16N4O2/c19-8-4-10-21(12-14-5-3-9-20-11-14)13-22-17(23)15-6-1-2-7-16(15)18(22)24/h1-3,5-7,9,11H,4,10,12-13H2