N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-methyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-methyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-methyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-methylpropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-2-methylpropanamide Traditional Name: 2-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-methyl-N-[2-(piperonylamino)ethyl]propionamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)(C)C(=O)NCCNCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)(C)C(=O)NCCNCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N6O3/c1-15-10-19(27-21(26-15)28-9-8-24-13-28)22(2,3)20(29)25-7-6-23-12-16-4-5-17-18(11-16)31-14-30-17/h4-5,8-11,13,23H,6-7,12,14H2,1-3H3,(H,25,29)