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

Systemtic Name: (E)-3-(2-butoxyphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-butoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(2-butoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(2-butoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-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=CC=C1C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

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