(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylonitrile Formula: C20H13BrClN3O3 MolecularWeight: 458.69252

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=C(C#N)C3=NC(=O)C4=C(N3)C=CC(=C4)Br)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C(\C#N)/C3=NC(=O)C4=C(N3)C=CC(=C4)Br)Cl)OC1

InChI

InChI=1S/C20H13BrClN3O3/c21-13-2-3-16-14(9-13)20(26)25-19(24-16)12(10-23)6-11-7-15(22)18-17(8-11)27-4-1-5-28-18/h2-3,6-9H,1,4-5H2,(H,24,25,26)/b12-6+