4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoranyl-quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoranyl-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoro-quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-fluoroquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-fluoroquinazoline Traditional Name: 6-fluoro-4-(4-piperonylpiperazino)quinazoline Formula: C20H19FN4O2 MolecularWeight: 366.388863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)F

InChI

InChI=1S/C20H19FN4O2/c21-15-2-3-17-16(10-15)20(23-12-22-17)25-7-5-24(6-8-25)11-14-1-4-18-19(9-14)27-13-26-18/h1-4,9-10,12H,5-8,11,13H2