3-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinazolin-4-one

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinazolin-4-one Openeye Name: 3-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-6-fluoro-quinazolin-4-one CAS Name: 3-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-6-fluoro-4-quinazolinone IUPAC Name: 3-[2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one Traditional Name: 6-fluoro-3-[2-keto-2-(4-piperonyloylpiperazino)ethyl]quinazolin-4-one Formula: C22H19FN4O5 MolecularWeight: 438.408463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19FN4O5/c23-15-2-3-17-16(10-15)22(30)27(12-24-17)11-20(28)25-5-7-26(8-6-25)21(29)14-1-4-18-19(9-14)32-13-31-18/h1-4,9-10,12H,5-8,11,13H2