(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-benzyloxy-5-bromo-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-benzoxy-5-bromo-phenyl)-2-(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=C(C=C(C=C2)Br)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3

InChI

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