1-[2-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-4-yl]piperidin-4-one

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-4-yl]piperidin-4-one Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-4-yl]piperidin-4-one CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-6-phenyl-4-pyrimidinyl]-4-piperidinone IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-6-phenylpyrimidin-4-yl]piperidin-4-one Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-6-phenyl-pyrimidin-4-yl]-4-piperidone Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1=O)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N3O3/c26-17-8-10-25(11-9-17)21-13-18(15-4-2-1-3-5-15)23-22(24-21)16-6-7-19-20(12-16)28-14-27-19/h1-7,12-13H,8-11,14H2