6-bromanyl-3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]quinazolin-4-one Openeye Name: 6-bromo-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]quinazolin-4-one CAS Name: 6-bromo-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-quinazolinone IUPAC Name: 6-bromo-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]quinazolin-4-one Traditional Name: 6-bromo-3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]quinazolin-4-one Formula: C18H14BrClN2O3 MolecularWeight: 421.67236

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Br)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Br)Cl)OC1

InChI

InChI=1S/C18H14BrClN2O3/c19-12-2-3-15-13(8-12)18(23)22(10-21-15)9-11-6-14(20)17-16(7-11)24-4-1-5-25-17/h2-3,6-8,10H,1,4-5,9H2