3-[2-[4-azanyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-azanyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethyl]benzenecarbonitrile Openeye Name: 3-[2-(4-amino-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]benzonitrile CAS Name: 3-[2-(4-amino-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]benzonitrile IUPAC Name: 3-[2-(4-amino-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]benzonitrile Traditional Name: 3-[2-(4-amino-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethyl]benzonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(C2C1C(=O)N(C2=O)CCC3=CC=CC(=C3)C#N)N

Isomeric SMILES

C1C=CC(C2C1C(=O)N(C2=O)CCC3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C17H17N3O2/c18-10-12-4-1-3-11(9-12)7-8-20-16(21)13-5-2-6-14(19)15(13)17(20)22/h1-4,6,9,13-15H,5,7-8,19H2