1-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazino]-2-phenoxy-propan-1-one Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)OC5=CC=CC=C5

InChI

InChI=1S/C24H24N4O4/c1-17(32-19-5-3-2-4-6-19)23(29)27-11-13-28(14-12-27)24-25-10-9-20(26-24)18-7-8-21-22(15-18)31-16-30-21/h2-10,15,17H,11-14,16H2,1H3