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

Systemtic Name: (E)-3-(4-tert-butylphenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-tert-butylphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-(4-tert-butylphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-tert-butylphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-tert-butylphenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O/c1-21(2,3)16-10-8-14(9-11-16)12-15(13-22)19-23-18-7-5-4-6-17(18)20(25)24-19/h4-12H,1-3H3,(H,23,24,25)/b15-12+