3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(pyridin-4-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(pyridin-4-ylmethyl)amino]propanenitrile Openeye Name: 3-[(1,3-dioxoisoindolin-2-yl)methyl-(4-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl-(pyridin-4-ylmethyl)amino]propanenitrile IUPAC Name: 3-[(1,3-dioxoisoindol-2-yl)methyl-(pyridin-4-ylmethyl)amino]propanenitrile Traditional Name: 3-[phthalimidomethyl(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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