(2E)-2-(3-azanylisoindol-1-ylidene)-2-(2-oxidanylidenequinazolin-1-yl)ethanenitrile

Systemtic Name: (2E)-2-(3-azanylisoindol-1-ylidene)-2-(2-oxidanylidenequinazolin-1-yl)ethanenitrile Openeye Name: (2E)-2-(3-aminoisoindol-1-ylidene)-2-(2-oxoquinazolin-1-yl)acetonitrile CAS Name: (2E)-2-(3-amino-1-isoindolylidene)-2-(2-oxo-1-quinazolinyl)acetonitrile IUPAC Name: (2E)-2-(3-aminoisoindol-1-ylidene)-2-(2-oxoquinazolin-1-yl)acetonitrile Traditional Name: (2E)-2-(3-aminoisoindol-1-ylidene)-2-(2-ketoquinazolin-1-yl)acetonitrile Formula: C18H11N5O MolecularWeight: 313.31284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=O)N2C(=C3C4=CC=CC=C4C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=O)N2/C(=C/3\C4=CC=CC=C4C(=N3)N)/C#N

InChI

InChI=1S/C18H11N5O/c19-9-15(16-12-6-2-3-7-13(12)17(20)22-16)23-14-8-4-1-5-11(14)10-21-18(23)24/h1-8,10H,(H2,20,22)/b16-15+