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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-methyl-ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]-N-methyl-ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]-N-methylethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]-N-methylethanamine Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-2-piperidyl]ethyl-methyl-piperonyl-amine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CCC1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N6O2/c1-27(15-18-5-6-20-21(14-18)31-17-30-20)12-8-19-4-2-3-11-29(19)22-7-9-25-23(26-22)28-13-10-24-16-28/h5-7,9-10,13-14,16,19H,2-4,8,11-12,15,17H2,1H3