1,3-benzodioxol-5-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(6-piperidinopyrimidin-4-yl)piperazino]methanone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H25N5O3/c27-21(16-4-5-17-18(12-16)29-15-28-17)26-10-8-25(9-11-26)20-13-19(22-14-23-20)24-6-2-1-3-7-24/h4-5,12-14H,1-3,6-11,15H2