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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl-cyclohexyl-amino]propanenitrile Openeye Name: 3-[cyclohexyl-[(1,3-dioxoisoindolin-2-yl)methyl]amino]propanenitrile CAS Name: 3-[cyclohexyl-[(1,3-dioxo-2-isoindolyl)methyl]amino]propanenitrile IUPAC Name: 3-[cyclohexyl-[(1,3-dioxoisoindol-2-yl)methyl]amino]propanenitrile Traditional Name: 3-[cyclohexyl(phthalimidomethyl)amino]propionitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC#N)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCC(CC1)N(CCC#N)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H21N3O2/c19-11-6-12-20(14-7-2-1-3-8-14)13-21-17(22)15-9-4-5-10-16(15)18(21)23/h4-5,9-10,14H,1-3,6-8,12-13H2