3-[3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-oxoquinazolin-3-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-oxoquinazolin-3-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(4-ketoquinazolin-3-yl)acetyl]indol-1-yl]propionitrile Formula: C21H16N4O2 MolecularWeight: 356.37734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H16N4O2/c22-10-5-11-24-12-17(15-6-2-4-9-19(15)24)20(26)13-25-14-23-18-8-3-1-7-16(18)21(25)27/h1-4,6-9,12,14H,5,11,13H2