N-[4-[(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[2-methyl-6-(1-pyrazolyl)-4-pyrimidinyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(2-methyl-6-pyrazol-1-yl-pyrimidin-4-yl)amino]phenyl]-piperonylamide Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5C=CC=N5

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5C=CC=N5

InChI

InChI=1S/C22H18N6O3/c1-14-24-20(12-21(25-14)28-10-2-9-23-28)26-16-4-6-17(7-5-16)27-22(29)15-3-8-18-19(11-15)31-13-30-18/h2-12H,13H2,1H3,(H,27,29)(H,24,25,26)