(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-tert-butylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-tert-butylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-tert-butylphenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-tert-butylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-tert-butylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(4-tert-butylphenyl)acrylonitrile Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C21H18BrN3O/c1-21(2,3)15-6-4-13(5-7-15)10-14(12-23)19-24-18-9-8-16(22)11-17(18)20(26)25-19/h4-11H,1-3H3,(H,24,25,26)/b14-10+