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

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-(2-benzyloxyphenyl)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(2-benzoxyphenyl)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C24H16BrN3O2 MolecularWeight: 458.30674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C24H16BrN3O2/c25-19-10-11-21-20(13-19)24(29)28-23(27-21)18(14-26)12-17-8-4-5-9-22(17)30-15-16-6-2-1-3-7-16/h1-13H,15H2,(H,27,28,29)/b18-12+