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

Systemtic Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinazolin-4-one Openeye Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-6-fluoro-quinazolin-4-one CAS Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-6-fluoro-4-quinazolinone IUPAC Name: 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one Traditional Name: 6-fluoro-3-[2-keto-2-(4-piperonylpiperazino)ethyl]quinazolin-4-one Formula: C22H21FN4O4 MolecularWeight: 424.424943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C=NC5=C(C4=O)C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CN4C=NC5=C(C4=O)C=C(C=C5)F

InChI

InChI=1S/C22H21FN4O4/c23-16-2-3-18-17(10-16)22(29)27(13-24-18)12-21(28)26-7-5-25(6-8-26)11-15-1-4-19-20(9-15)31-14-30-19/h1-4,9-10,13H,5-8,11-12,14H2