4-[[7-(1-imidazol-1-ylethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[7-(1-imidazol-1-ylethyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[7-(1-imidazol-1-ylethyl)-1,3-dioxo-isoindolin-5-yl]methyl]benzonitrile CAS Name: 4-[[7-[1-(1-imidazolyl)ethyl]-1,3-dioxo-5-isoindolyl]methyl]benzonitrile IUPAC Name: 4-[[7-(1-imidazol-1-ylethyl)-1,3-dioxoisoindol-5-yl]methyl]benzonitrile Traditional Name: 4-[[7-(1-imidazol-1-ylethyl)-1,3-diketo-isoindolin-5-yl]methyl]benzonitrile Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC(=C1)CC3=CC=C(C=C3)C#N)C(=O)NC2=O)N4C=CN=C4

Isomeric SMILES

CC(C1=C2C(=CC(=C1)CC3=CC=C(C=C3)C#N)C(=O)NC2=O)N4C=CN=C4

InChI

InChI=1S/C21H16N4O2/c1-13(25-7-6-23-12-25)17-9-16(8-14-2-4-15(11-22)5-3-14)10-18-19(17)21(27)24-20(18)26/h2-7,9-10,12-13H,8H2,1H3,(H,24,26,27)