4-[2-[1-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidin-1-yl]-2-imidazol-1-yl-pyrimidine

Systemtic Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidin-1-yl]-2-imidazol-1-yl-pyrimidine Openeye Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethoxy)ethyl]-1-piperidyl]-2-imidazol-1-yl-pyrimidine CAS Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethoxy)ethyl]-1-piperidinyl]-2-(1-imidazolyl)pyrimidine IUPAC Name: 4-[2-[1-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidin-1-yl]-2-imidazol-1-ylpyrimidine Traditional Name: 2-imidazol-1-yl-4-[2-(1-piperonyloxyethyl)piperidino]pyrimidine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)OCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N5O3/c1-16(28-13-17-5-6-19-20(12-17)30-15-29-19)18-4-2-3-10-27(18)21-7-8-24-22(25-21)26-11-9-23-14-26/h5-9,11-12,14,16,18H,2-4,10,13,15H2,1H3