(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3,4-dibenzyloxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-dibenzoxyphenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C31H23N3O3 MolecularWeight: 485.53262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)OCC5=CC=CC=C5

InChI

InChI=1S/C31H23N3O3/c32-19-25(30-33-27-14-8-7-13-26(27)31(35)34-30)17-24-15-16-28(36-20-22-9-3-1-4-10-22)29(18-24)37-21-23-11-5-2-6-12-23/h1-18H,20-21H2,(H,33,34,35)/b25-17+