(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-butoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(4-butoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(4-butoxy-3-methoxy-phenyl)acrylonitrile Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OC

InChI

InChI=1S/C22H20BrN3O3/c1-3-4-9-29-19-8-5-14(11-20(19)28-2)10-15(13-24)21-25-18-7-6-16(23)12-17(18)22(27)26-21/h5-8,10-12H,3-4,9H2,1-2H3,(H,25,26,27)/b15-10+