1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-2-(1,3-benzodioxol-5-yl)ethanone

Systemtic Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-2-(1,3-benzodioxol-5-yl)ethanone Openeye Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-2-(1,3-benzodioxol-5-yl)ethanone CAS Name: 1-[2-(aminomethyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]-2-(1,3-benzodioxol-5-yl)ethanone IUPAC Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-2-(1,3-benzodioxol-5-yl)ethanone Traditional Name: 1-[2-(aminomethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-2-(1,3-benzodioxol-5-yl)ethanone Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(CN)C(=O)CC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)(CN)C(=O)CC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C22H24N6O3/c23-13-22(19(29)12-16-3-4-17-18(11-16)31-15-30-17)6-1-2-9-28(22)20-5-7-25-21(26-20)27-10-8-24-14-27/h3-5,7-8,10-11,14H,1-2,6,9,12-13,15,23H2