2-(1,3-benzodioxol-5-yl)-1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(5-phenyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[4-[5-phenyl-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[4-[5-phenyl-2-(3-pyridyl)pyrimidin-4-yl]piperidino]ethanone Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1C2=NC(=NC=C2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26N4O3/c34-27(16-20-8-9-25-26(15-20)36-19-35-25)33-13-10-22(11-14-33)28-24(21-5-2-1-3-6-21)18-31-29(32-28)23-7-4-12-30-17-23/h1-9,12,15,17-18,22H,10-11,13-14,16,19H2