(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(diethylamino)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(diethylamino)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-[4-(diethylamino)phenyl]acrylonitrile Formula: C21H19BrN4O MolecularWeight: 423.30576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O/c1-3-26(4-2)17-8-5-14(6-9-17)11-15(13-23)20-24-19-10-7-16(22)12-18(19)21(27)25-20/h5-12H,3-4H2,1-2H3,(H,24,25,27)/b15-11+