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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethanamine Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethyl-piperonyl-amine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCNCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CCN(C(C1)CCNCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C22H26N6O2/c1-2-11-28(21-7-9-25-22(26-21)27-12-10-24-15-27)18(3-1)6-8-23-14-17-4-5-19-20(13-17)30-16-29-19/h4-5,7,9-10,12-13,15,18,23H,1-3,6,8,11,14,16H2