2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: N-(2-fluorophenyl)-6-keto-2-(4-piperonylpiperazino)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C23H24FN5O4 MolecularWeight: 453.466163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(CC(=O)N4)C(=O)NC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC(CC(=O)N4)C(=O)NC5=CC=CC=C5F

InChI

InChI=1S/C23H24FN5O4/c24-16-3-1-2-4-17(16)25-22(31)18-12-21(30)27-23(26-18)29-9-7-28(8-10-29)13-15-5-6-19-20(11-15)33-14-32-19/h1-6,11,18H,7-10,12-14H2,(H,25,31)(H,26,27,30)