2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenyl-5-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenyl-5-propyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenyl-5-propyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-phenyl-5-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-phenyl-5-propyl-1H-pyrimidin-4-one Traditional Name: 6-phenyl-2-(4-piperonylpiperazino)-5-propyl-1H-pyrimidin-4-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3/c1-2-6-20-23(19-7-4-3-5-8-19)26-25(27-24(20)30)29-13-11-28(12-14-29)16-18-9-10-21-22(15-18)32-17-31-21/h3-5,7-10,15H,2,6,11-14,16-17H2,1H3,(H,26,27,30)