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

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(1-phenylpyrazol-4-yl)acrylonitrile Formula: C20H12BrN5O MolecularWeight: 418.24618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C20H12BrN5O/c21-15-6-7-18-17(9-15)20(27)25-19(24-18)14(10-22)8-13-11-23-26(12-13)16-4-2-1-3-5-16/h1-9,11-12H,(H,24,25,27)/b14-8+