3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-bromanyl-quinazolin-4-one

Systemtic Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-6-bromanyl-quinazolin-4-one Openeye Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-6-bromo-quinazolin-4-one CAS Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-6-bromo-4-quinazolinone IUPAC Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-bromoquinazolin-4-one Traditional Name: 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-6-bromo-quinazolin-4-one Formula: C23H18BrN3O4 MolecularWeight: 480.31072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=NC5=C(C4=O)C=C(C=C5)Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C=NC5=C(C4=O)C=C(C=C5)Br

InChI

InChI=1S/C23H18BrN3O4/c1-13-7-17(14(2)27(13)16-4-6-21-22(9-16)31-12-30-21)20(28)10-26-11-25-19-5-3-15(24)8-18(19)23(26)29/h3-9,11H,10,12H2,1-2H3