N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-(3-pyridylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-N-(3-pyridinylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-N-(3-pyridylmethyl)-piperonylamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H27N5O3/c1-17-12-18(2)28-25(27-17)29-10-7-21(8-11-29)30(15-19-4-3-9-26-14-19)24(31)20-5-6-22-23(13-20)33-16-32-22/h3-6,9,12-14,21H,7-8,10-11,15-16H2,1-2H3