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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]methanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]methanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]methanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]methanamine Traditional Name: [1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]methyl-piperonyl-amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CNCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)CNCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C21H24N6O2/c1-2-9-27(20-6-7-24-21(25-20)26-10-8-22-14-26)17(3-1)13-23-12-16-4-5-18-19(11-16)29-15-28-18/h4-8,10-11,14,17,23H,1-3,9,12-13,15H2