(E)-3-(3,4-diethoxyphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3,4-diethoxyphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3,4-diethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3,4-diethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3,4-diethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-diethoxyphenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)OCC

InChI

InChI=1S/C21H19N3O3/c1-3-26-18-10-9-14(12-19(18)27-4-2)11-15(13-22)20-23-17-8-6-5-7-16(17)21(25)24-20/h5-12H,3-4H2,1-2H3,(H,23,24,25)/b15-11+