2-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-[2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)pyrrolidino]-2-(piperonylamino)ethanone Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2CCCN2C(=O)CNCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

Isomeric SMILES

CC1=NC(=NC(=C1)C2CCCN2C(=O)CNCC3=CC4=C(C=C3)OCO4)N5C=CN=C5

InChI

InChI=1S/C22H24N6O3/c1-15-9-17(26-22(25-15)27-8-6-23-13-27)18-3-2-7-28(18)21(29)12-24-11-16-4-5-19-20(10-16)31-14-30-19/h4-6,8-10,13,18,24H,2-3,7,11-12,14H2,1H3