(E)-3-(3-ethoxy-4-propoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)OCC

InChI

InChI=1S/C22H21N3O3/c1-3-11-28-19-10-9-15(13-20(19)27-4-2)12-16(14-23)21-24-18-8-6-5-7-17(18)22(26)25-21/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25,26)/b16-12+