4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine

Systemtic Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine Openeye Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidyl]-5-(4-fluorophenyl)-2-methyl-pyrimidine CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidinyl]-5-(4-fluorophenyl)-2-methylpyrimidine IUPAC Name: 4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-(4-fluorophenyl)-2-methylpyrimidine Traditional Name: 5-(4-fluorophenyl)-2-methyl-4-(1-piperonyl-3-piperidyl)pyrimidine Formula: C24H24FN3O2 MolecularWeight: 405.464663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H24FN3O2/c1-16-26-12-21(18-5-7-20(25)8-6-18)24(27-16)19-3-2-10-28(14-19)13-17-4-9-22-23(11-17)30-15-29-22/h4-9,11-12,19H,2-3,10,13-15H2,1H3