(E)-3-anthracen-9-yl-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-anthracen-9-yl-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(9-anthryl)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(9-anthracenyl)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-anthracen-9-yl-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(9-anthryl)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C25H14BrN3O MolecularWeight: 452.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C(C#N)C4=NC(=O)C5=C(N4)C=CC(=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C(\C#N)/C4=NC(=O)C5=C(N4)C=CC(=C5)Br

InChI

InChI=1S/C25H14BrN3O/c26-18-9-10-23-22(13-18)25(30)29-24(28-23)17(14-27)12-21-19-7-3-1-5-15(19)11-16-6-2-4-8-20(16)21/h1-13H,(H,28,29,30)/b17-12+