(E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3-[(4-bromophenyl)methoxy]phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-bromobenzyl)oxyphenyl]-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=C2C(=C1)C(=O)N=C(N2)C(=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)Br)/C#N

InChI

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