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

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-butoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-butoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-butoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-butoxyphenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2/c1-2-3-12-26-17-10-8-15(9-11-17)13-16(14-22)20-23-19-7-5-4-6-18(19)21(25)24-20/h4-11,13H,2-3,12H2,1H3,(H,23,24,25)/b16-13+