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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]acetamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C21H22N6O3/c28-20(24-15-4-5-17-18(11-15)30-14-29-17)12-16-3-1-2-9-27(16)19-6-7-23-21(25-19)26-10-8-22-13-26/h4-8,10-11,13,16H,1-3,9,12,14H2,(H,24,28)