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

Systemtic Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)OCC

InChI

InChI=1S/C23H23N3O3/c1-3-5-12-29-20-11-10-16(14-21(20)28-4-2)13-17(15-24)22-25-19-9-7-6-8-18(19)23(27)26-22/h6-11,13-14H,3-5,12H2,1-2H3,(H,25,26,27)/b17-13+