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

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-propoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-propoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(4-propoxyphenyl)acrylonitrile Formula: C20H16BrN3O2 MolecularWeight: 410.26394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C20H16BrN3O2/c1-2-9-26-16-6-3-13(4-7-16)10-14(12-22)19-23-18-8-5-15(21)11-17(18)20(25)24-19/h3-8,10-11H,2,9H2,1H3,(H,23,24,25)/b14-10+