1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]methyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]methyl]urea Traditional Name: 1-[[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]methyl]-3-piperonyl-urea Formula: C22H25N7O3 MolecularWeight: 435.479

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CNC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)CNC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C22H25N7O3/c30-22(25-12-16-4-5-18-19(11-16)32-15-31-18)26-13-17-3-1-2-9-29(17)20-6-7-24-21(27-20)28-10-8-23-14-28/h4-8,10-11,14,17H,1-3,9,12-13,15H2,(H2,25,26,30)